(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide

C9H14N2O2 — CID 59473893

IUPAC(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(C)=CC1=O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4,7H,3,5H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyOVJBBNKRSJSAKG-ZETCQYMHSA-N
MW182.22 g/mol
LogP0.04
Rot. Bonds3

About (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide

(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide (PubChem CID 59473893) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide
PubChem CID59473893
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide
SMILESCC[C@@H](C(N)=O)N1CC(C)=CC1=O
InChIInChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4,7H,3,5H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyOVJBBNKRSJSAKG-ZETCQYMHSA-N
XLogP0.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide?
The IUPAC name of (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide (CID 59473893) is (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide?
The canonical SMILES for (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide is CC[C@@H](C(N)=O)N1CC(C)=CC1=O.
What is the InChIKey of (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide?
The InChIKey is OVJBBNKRSJSAKG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h4,7H,3,5H2,1-2H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide?
(2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide has a molecular weight of 182.22 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methyl-5-oxo-2H-pyrrol-1-yl)butanamide is sourced from PubChem (CID 59473893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).