3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide

C12H19N3O — CID 106384775

IUPAC3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cc[nH]c2)CCNC1
InChIInChI=1S/C12H19N3O/c1-2-12(4-6-14-9-12)11(16)15-8-10-3-5-13-7-10/h3,5,7,13-14H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyPHWLFZKCTGWJBH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds4

About 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide

3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 106384775) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID106384775
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2cc[nH]c2)CCNC1
InChIInChI=1S/C12H19N3O/c1-2-12(4-6-14-9-12)11(16)15-8-10-3-5-13-7-10/h3,5,7,13-14H,2,4,6,8-9H2,1H3,(H,15,16)
InChIKeyPHWLFZKCTGWJBH-UHFFFAOYSA-N
XLogP1.02
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
3-ethyl-N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63140077
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
N-[(2,4-difluorophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166503

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide (CID 106384775) is 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCc2cc[nH]c2)CCNC1.
What is the InChIKey of 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is PHWLFZKCTGWJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(4-6-14-9-12)11(16)15-8-10-3-5-13-7-10/h3,5,7,13-14H,2,4,6,8-9H2,1H3,(H,15,16).
What are the key properties of 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106384775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).