1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide

C13H24N2O2 — CID 143358047

IUPAC1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(NC(=O)C1CCCN1C)C(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-7-11(10(2)16)14-13(17)12-8-6-9-15(12)3/h11-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyPACOHKOAKJRPMI-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.34
Rot. Bonds6

About 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide

1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide (PubChem CID 143358047) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
PubChem CID143358047
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
SMILESCCCCC(NC(=O)C1CCCN1C)C(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-5-7-11(10(2)16)14-13(17)12-8-6-9-15(12)3/h11-12H,4-9H2,1-3H3,(H,14,17)
InChIKeyPACOHKOAKJRPMI-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidine-2-carboxamide
CID 54565310
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
CID 152904698
(2S)-2-[(1-methylpyrrolidine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 110837384
(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
(2S)-4-methyl-2-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]pentanoate
CID 169278462
N-(1-amino-5-cyclobutyl-1,2-dioxopentan-3-yl)-1-methylpyrrolidine-2-carboxamide
CID 143358728
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067
(2S)-1-methyl-N-pentan-3-ylpyrrolidine-2-carboxamide;(2S)-1-methylpyrrolidine-2-carboxamide
CID 158518275
(2S)-1-[(2S)-2-acetamidopropanoyl]-N-[(2S)-1-hydrazinyl-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
CID 46850017
4-[(1-acetylpyrrolidine-2-carbonyl)amino]-5-[[5-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-carboxybutanoyl]amino]-6-oxoheptyl]amino]-5-oxopentanoic acid
CID 139482149
(2R)-N-acetyl-1-methylpyrrolidine-2-carboxamide
CID 90115350
2-[(1-methylpyrrolidin-2-yl)methylamino]hexanoic acid
CID 106020216

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide (CID 143358047) is 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide is CCCCC(NC(=O)C1CCCN1C)C(C)=O.
What is the InChIKey of 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is PACOHKOAKJRPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-7-11(10(2)16)14-13(17)12-8-6-9-15(12)3/h11-12H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide?
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).