6-[3-(4-(aminoiminomethyl)phenylamino)-3-oxopropyl]-3,4,5,6-tetrahydro-2H-pyran-2-one

HCID 70077971
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
NN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1
InChIKey
MZCQHSUZKHWSHY-UHFFFAOYSA-N
Molecular formula
C15H19N3O3
Average molar mass
289.33 g/mol

Names & identifiers

Preferred name
6-[3-(4-(aminoiminomethyl)phenylamino)-3-oxopropyl]-3,4,5,6-tetrahydro-2H-pyran-2-one
IUPAC
N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide

Names & synonyms

6-[3-(4-(aminoiminomethyl)phenylamino)-3-oxopropyl]-3,4,5,6-tetrahydro-2H-pyran-2-one6-[3-(4-(aminoiminomethyl)phenylamino]-3-oxopropyl]-3,4,5,6-tetrahydro-2H-pyran-2-oneSCHEMBL7396317MZCQHSUZKHWSHY-UHFFFAOYSA-N

Database identifiers

PubChem CID
70077971

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
93.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

Loading…