N-(2-methylpropanoyl)pyrrolidine-1-carboxamide

C9H16N2O2 — CID 91389730

IUPACN-(2-methylpropanoyl)pyrrolidine-1-carboxamide
SMILESCC(C)C(=O)NC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O2/c1-7(2)8(12)10-9(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyWZQYALCVOPAXED-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds1

About N-(2-methylpropanoyl)pyrrolidine-1-carboxamide

N-(2-methylpropanoyl)pyrrolidine-1-carboxamide (PubChem CID 91389730) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-methylpropanoyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropanoyl)pyrrolidine-1-carboxamide
PubChem CID91389730
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-methylpropanoyl)pyrrolidine-1-carboxamide
SMILESCC(C)C(=O)NC(=O)N1CCCC1
InChIInChI=1S/C9H16N2O2/c1-7(2)8(12)10-9(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,12,13)
InChIKeyWZQYALCVOPAXED-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
N-(2-chloropropanoyl)piperidine-1-carboxamide
CID 43146338
N-(2-chloropropanoyl)azetidine-1-carboxamide
CID 126980646
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 44549258
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
N-(1-hydroxypropan-2-yl)azepane-1-carboxamide
CID 112729482
N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 79162037
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropanoyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methylpropanoyl)pyrrolidine-1-carboxamide (CID 91389730) is N-(2-methylpropanoyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropanoyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropanoyl)pyrrolidine-1-carboxamide is CC(C)C(=O)NC(=O)N1CCCC1.
What is the InChIKey of N-(2-methylpropanoyl)pyrrolidine-1-carboxamide?
The InChIKey is WZQYALCVOPAXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(2)8(12)10-9(13)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,12,13).
What are the key properties of N-(2-methylpropanoyl)pyrrolidine-1-carboxamide?
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropanoyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91389730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).