1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide

C13H19N3O — CID 62541280

IUPAC1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCCN1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13(15-9-10-3-1-7-14-10)12-4-2-8-16(12)11-5-6-11/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17)
InChIKeyDSPGKOWJWOBRPT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds4

About 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 62541280) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID62541280
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCCN1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13(15-9-10-3-1-7-14-10)12-4-2-8-16(12)11-5-6-11/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17)
InChIKeyDSPGKOWJWOBRPT-UHFFFAOYSA-N
XLogP1.30
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971656
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide (CID 62541280) is 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is O=C(NCC1CCCN1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is DSPGKOWJWOBRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(15-9-10-3-1-7-14-10)12-4-2-8-16(12)11-5-6-11/h2,4,8,10-11,14H,1,3,5-7,9H2,(H,15,17).
What are the key properties of 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62541280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).