1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide

C9H16N2O2 — CID 5256834

IUPAC1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1C(C)CCN1C(C)=O
InChIInChI=1S/C9H16N2O2/c1-6-4-5-11(7(2)12)8(6)9(13)10-3/h6,8H,4-5H2,1-3H3,(H,10,13)
InChIKeyNHCHTCLURHEBAY-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds1

About 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide

1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 5256834) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID5256834
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1C(C)CCN1C(C)=O
InChIInChI=1S/C9H16N2O2/c1-6-4-5-11(7(2)12)8(6)9(13)10-3/h6,8H,4-5H2,1-3H3,(H,10,13)
InChIKeyNHCHTCLURHEBAY-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N,N,3-trimethylpyrrolidine-2-carboxamide
CID 118262712
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787949
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
methyl (2R,3R)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153577
methyl (2R,3S)-1-acetyl-3-fluoropyrrolidine-2-carboxylate
CID 102153578
3-methyl-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]piperidine-2-carboxylic acid
CID 107071491
tert-butyl (2S,3S)-1-acetyl-2-(hydrazinecarbonyl)pyrrolidine-3-carboxylate
CID 121340227
1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
CID 143064094
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide (CID 5256834) is 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide is CNC(=O)C1C(C)CCN1C(C)=O.
What is the InChIKey of 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NHCHTCLURHEBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-4-5-11(7(2)12)8(6)9(13)10-3/h6,8H,4-5H2,1-3H3,(H,10,13).
What are the key properties of 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide?
1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 5256834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).