N-acetylpyrrolidine-3-carboxamide

C7H12N2O2 — CID 69120322

IUPACN-acetylpyrrolidine-3-carboxamide
SMILESCC(=O)NC(=O)C1CCNC1
InChIInChI=1S/C7H12N2O2/c1-5(10)9-7(11)6-2-3-8-4-6/h6,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyIUMYJKGNKUFTOC-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.74
Rot. Bonds1

About N-acetylpyrrolidine-3-carboxamide

N-acetylpyrrolidine-3-carboxamide (PubChem CID 69120322) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-acetylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-acetylpyrrolidine-3-carboxamide
PubChem CID69120322
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-acetylpyrrolidine-3-carboxamide
SMILESCC(=O)NC(=O)C1CCNC1
InChIInChI=1S/C7H12N2O2/c1-5(10)9-7(11)6-2-3-8-4-6/h6,8H,2-4H2,1H3,(H,9,10,11)
InChIKeyIUMYJKGNKUFTOC-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-prop-2-enoylpyrrolidine-3-carboxamide
CID 126649587
N-(3-methylbut-2-enyl)pyrrolidine-3-carboxamide
CID 106186798
N-(2-methylprop-2-enoyl)piperidine-3-carboxamide
CID 176884456
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
methyl pyrrolidine-3-carboxylate
CID 4114360
N-ethoxypyrrolidine-3-carboxamide
CID 64974765
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
N-(cyanomethyl)pyrrolidine-3-carboxamide
CID 63005211
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
(3R)-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 94915781
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342

Frequently Asked Questions

What is the IUPAC name of N-acetylpyrrolidine-3-carboxamide?
The IUPAC name of N-acetylpyrrolidine-3-carboxamide (CID 69120322) is N-acetylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-acetylpyrrolidine-3-carboxamide?
The canonical SMILES for N-acetylpyrrolidine-3-carboxamide is CC(=O)NC(=O)C1CCNC1.
What is the InChIKey of N-acetylpyrrolidine-3-carboxamide?
The InChIKey is IUMYJKGNKUFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(10)9-7(11)6-2-3-8-4-6/h6,8H,2-4H2,1H3,(H,9,10,11).
What are the key properties of N-acetylpyrrolidine-3-carboxamide?
N-acetylpyrrolidine-3-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetylpyrrolidine-3-carboxamide is sourced from PubChem (CID 69120322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).