N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide

C9H14N2O3 — CID 171566777

IUPACN-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
SMILESCC(=O)C1CCCN1C(=O)CNC=O
InChIInChI=1S/C9H14N2O3/c1-7(13)8-3-2-4-11(8)9(14)5-10-6-12/h6,8H,2-5H2,1H3,(H,10,12)
InChIKeyDIRUUDMGOBRVHC-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.69
Rot. Bonds4

About N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide

N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide (PubChem CID 171566777) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
PubChem CID171566777
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
SMILESCC(=O)C1CCCN1C(=O)CNC=O
InChIInChI=1S/C9H14N2O3/c1-7(13)8-3-2-4-11(8)9(14)5-10-6-12/h6,8H,2-5H2,1H3,(H,10,12)
InChIKeyDIRUUDMGOBRVHC-UHFFFAOYSA-N
XLogP-0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
N-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]formamide
CID 138723008
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
3-[[(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carbonyl]amino]-4-methylundecanoic acid
CID 143356443
1-[(2S)-2-acetylpyrrolidin-1-yl]propane-1,2-dione
CID 59063523
N-[1-(cyclopropylsulfanylamino)-1-oxopent-4-en-2-yl]-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide
CID 143403801
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
tert-butyl (2S)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate
CID 95973096
N,N-dimethyl-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 78958215
1-[2-(cyclopropylmethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61157492
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide (CID 171566777) is N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide is CC(=O)C1CCCN1C(=O)CNC=O.
What is the InChIKey of N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide?
The InChIKey is DIRUUDMGOBRVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(13)8-3-2-4-11(8)9(14)5-10-6-12/h6,8H,2-5H2,1H3,(H,10,12).
What are the key properties of N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide?
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide has a molecular weight of 198.22 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide is sourced from PubChem (CID 171566777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).