1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide

C9H14N2O3 — CID 163643584

IUPAC1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCC=O
InChIInChI=1S/C9H14N2O3/c1-7(13)11-5-2-3-8(11)9(14)10-4-6-12/h6,8H,2-5H2,1H3,(H,10,14)
InChIKeyIGJFRNPDJKSAJB-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.69
Rot. Bonds3

About 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide

1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide (PubChem CID 163643584) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
PubChem CID163643584
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)NCC=O
InChIInChI=1S/C9H14N2O3/c1-7(13)11-5-2-3-8(11)9(14)10-4-6-12/h6,8H,2-5H2,1H3,(H,10,14)
InChIKeyIGJFRNPDJKSAJB-UHFFFAOYSA-N
XLogP-0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2S)-1-acetyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 89096348
1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
1-acetyl-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120653066
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 71357643
(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide;ethane;molecular hydrogen
CID 155720528
1-acetyl-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 111434286
(2S)-1-benzoyl-N-[(2S)-1-oxo-1-(2-oxoethylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 173398428

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide (CID 163643584) is 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)NCC=O.
What is the InChIKey of 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide?
The InChIKey is IGJFRNPDJKSAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(13)11-5-2-3-8(11)9(14)10-4-6-12/h6,8H,2-5H2,1H3,(H,10,14).
What are the key properties of 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide?
1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-oxoethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163643584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).