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

C9H16N2O2 — CID 130660566

IUPAC1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C9H16N2O2/c1-7(12)11-5-4-8(6-11)9(13)10(2)3/h8H,4-6H2,1-3H3
InChIKeyLLQQYQKTDGLAGN-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.06
Rot. Bonds1

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

1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide (PubChem CID 130660566) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide
PubChem CID130660566
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(C)C)C1
InChIInChI=1S/C9H16N2O2/c1-7(12)11-5-4-8(6-11)9(13)10(2)3/h8H,4-6H2,1-3H3
InChIKeyLLQQYQKTDGLAGN-UHFFFAOYSA-N
XLogP-0.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-prop-1-en-2-ylpiperidine-3-carboxamide;ethane
CID 177327317
1-acetyl-N-oxopyrrolidine-3-carboxamide
CID 118074956
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-(1-acetylpyrrolidin-3-yl)-2-aminoethanone
CID 115006793
1-(2-hydroxyacetyl)-N,N-dimethylpiperidine-4-carboxamide
CID 170068801
N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
1-acetyl-N-(3-amino-2,2-dimethylpropyl)-N-methylpiperidine-3-carboxamide
CID 119653194
1-(4-hydroxypentanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 79200487
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
propan-2-yl 3-(dimethylcarbamoyl)piperidine-1-carboxylate
CID 177326825

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide (CID 130660566) is 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)N(C)C)C1.
What is the InChIKey of 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide?
The InChIKey is LLQQYQKTDGLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)11-5-4-8(6-11)9(13)10(2)3/h8H,4-6H2,1-3H3.
What are the key properties of 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide?
1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,N-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 130660566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).