HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine

HCID 60181
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
107035-05-2
Standard SMILES
CCCN1CCCC2C(c3ccccc3)c3ccccc3C21
InChIKey
RMFDPFVJWNFOJK-UHFFFAOYSA-N
Molecular formula
C21H25N
Average molar mass
291.4 g/mol
Monoisotopic mass
291.1986998

Overview

RN & structure given in first source; RN given refers to (+-)-isomer; RN not in Chemline 6/87

Names & identifiers

Preferred name
1-propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine
IUPAC
5-phenyl-1-propyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
English name
1-propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine
Molecular weight
0

Names & synonyms

107035-05-21-Propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridineRefChem:9078311-PPHIP107035-09-6BRN 6064991BRN 60649925-phenyl-1-propyl-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine(+)-1-n-Propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine(+)-2,3,4,4a,5,9b-Hexahydro-5-phenyl-1-propyl-1H-indeno(1,2-b)pyridine(+-)-1-n-Propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine(+-)-2,3,4,4a,5,9b-Hexahydro-5-phenyl-1-propyl-1H-indeno(1,2-b)pyridine
Show more names
(-)-1-n-Propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridine1H-INDENO(1,2-b)PYRIDINE, 2,3,4,4a,5,9b-HEXAHYDRO-5-PHENYL-1-PROPYL-, (+)-1H-INDENO(1,2-b)PYRIDINE, 2,3,4,4a,5,9b-HEXAHYDRO-5-PHENYL-1-PROPYL-, (-)-DTXSID709102235-Phenyl-1-propyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine(-)-1-n-Propyl-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno(1,2-b)pyridi ne1H-INDENO(1,2-b)PYRIDINE, 2,3,4,4a,5,9b-HEXAHYDRO-5-PHENYL-1-PROPYL-, (+-)-107035-10-9

Database identifiers

CAS
107035-05-2、107035-09-6、107035-10-9

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
22
Formal charge
0
Complexity
359

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes
PubChem CID
60181
DTXSID
DTXSID70910223