N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide

C9H13N3O — CID 115159173

IUPACN-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc[nH]c1)C1CCCN1
InChIInChI=1S/C9H13N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h3,5-6,8,10-11H,1-2,4H2,(H,12,13)
InChIKeyGVNLTOOSSXCUIA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.71
Rot. Bonds2

About N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide

N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 115159173) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide
PubChem CID115159173
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc[nH]c1)C1CCCN1
InChIInChI=1S/C9H13N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h3,5-6,8,10-11H,1-2,4H2,(H,12,13)
InChIKeyGVNLTOOSSXCUIA-UHFFFAOYSA-N
XLogP0.71
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-(3,5-diphenylphenyl)pyrrolidine-2-carboxamide
CID 121274963
N-(1H-pyrrol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 82491181
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide (CID 115159173) is N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide is O=C(Nc1cc[nH]c1)C1CCCN1.
What is the InChIKey of N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is GVNLTOOSSXCUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-2-1-4-11-8)12-7-3-5-10-6-7/h3,5-6,8,10-11H,1-2,4H2,(H,12,13).
What are the key properties of N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide?
N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 179.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115159173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).