Methyl 2,5-dimethyl-1H-pyrrole-1-carboxylate

HCID 12374590CAS 5044-30-4
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Basic information

Standard SMILES
COC(=O)n1c(C)ccc1C
InChIKey
YRTOCIAZPCWZPU-UHFFFAOYSA-N
Molecular formula
C8H11NO2
Average molar mass
153.18 g/mol
Monoisotopic mass
153.07897859

Names & identifiers

Preferred name
Methyl 2,5-dimethyl-1H-pyrrole-1-carboxylate
IUPAC
methyl 2,5-dimethylpyrrole-1-carboxylate

Names & synonyms

Methyl 2,5-dimethyl-1H-pyrrole-1-carboxylate5044-30-4DTXSID90495007RefChem:353681DTXCID60445817SCHEMBL3654048SCHEMBL8040304YRTOCIAZPCWZPU-UHFFFAOYSA-N2,5-dimethyl-pyrrole-1-carboxylic acid methyl ester

Database identifiers

CAS
5044-30-4
PubChem CID
12374590
DTXSID
DTXSID90495007
Nikkaji
J3.389.199G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
11

Related reactions

1 records
New reaction record

Linked notes

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