(3S)-3-methyl-N-oxopentanamide

C6H11NO2 — CID 174497955

IUPAC(3S)-3-methyl-N-oxopentanamide
SMILESCC[C@H](C)CC(=O)N=O
InChIInChI=1S/C6H11NO2/c1-3-5(2)4-6(8)7-9/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyQUBCYZRJOTXUBG-YFKPBYRVSA-N
MW129.16 g/mol
LogP1.72
Rot. Bonds3

About (3S)-3-methyl-N-oxopentanamide

(3S)-3-methyl-N-oxopentanamide (PubChem CID 174497955) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S)-3-methyl-N-oxopentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-oxopentanamide
PubChem CID174497955
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S)-3-methyl-N-oxopentanamide
SMILESCC[C@H](C)CC(=O)N=O
InChIInChI=1S/C6H11NO2/c1-3-5(2)4-6(8)7-9/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyQUBCYZRJOTXUBG-YFKPBYRVSA-N
XLogP1.72
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-methylheptan-3-one
CID 6566014
carbonic acid;3-methylpentane
CID 173481374
3-methyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-one
CID 114968974
ethyl (3R)-3-methylpentanoate
CID 7567160
4-methyl-2-methylidenehexanamide
CID 87496757
2-fluoro-2,5-dimethylheptan-3-one
CID 130562222
2,6-dimethylheptan-4-one;5-methylheptan-3-one
CID 162014497
1-methoxy-4-methylhexan-2-one
CID 62619896
2,6-dimethyl-4-methylideneoctane
CID 12567282
N-oxobutanamide
CID 87293137
N-formyl-N,3-dimethylpentanamide
CID 142974327
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-oxopentanamide?
The IUPAC name of (3S)-3-methyl-N-oxopentanamide (CID 174497955) is (3S)-3-methyl-N-oxopentanamide.
What is the SMILES notation for (3S)-3-methyl-N-oxopentanamide?
The canonical SMILES for (3S)-3-methyl-N-oxopentanamide is CC[C@H](C)CC(=O)N=O.
What is the InChIKey of (3S)-3-methyl-N-oxopentanamide?
The InChIKey is QUBCYZRJOTXUBG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(2)4-6(8)7-9/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-N-oxopentanamide?
(3S)-3-methyl-N-oxopentanamide has a molecular weight of 129.16 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-oxopentanamide is sourced from PubChem (CID 174497955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).