5-methyl-3-oxohexanamide

C7H13NO2 — CID 140847068

IUPAC5-methyl-3-oxohexanamide
SMILESCC(C)CC(=O)CC(N)=O
InChIInChI=1S/C7H13NO2/c1-5(2)3-6(9)4-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyZPMOTBRYJCNPOL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds4

About 5-methyl-3-oxohexanamide

5-methyl-3-oxohexanamide (PubChem CID 140847068) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-methyl-3-oxohexanamide.

Molecular Properties

Compound Name5-methyl-3-oxohexanamide
PubChem CID140847068
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-methyl-3-oxohexanamide
SMILESCC(C)CC(=O)CC(N)=O
InChIInChI=1S/C7H13NO2/c1-5(2)3-6(9)4-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)
InChIKeyZPMOTBRYJCNPOL-UHFFFAOYSA-N
XLogP0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methylbutanamide
CID 87933309
chloromethane;2,6-dimethylheptan-4-one
CID 174654113
2,9-dimethyldecane-4,6-dione
CID 152780076
acetic acid;2,6-dimethylheptan-4-one
CID 135383464
bis(2,2,7-trimethyloctane-3,5-dione);zinc
CID 159095864
2-methoxy-7-methyloctane-3,5-dione
CID 24987129
(2Z)-2-ethylidene-4-methylpentanamide
CID 55290793
propanediamide
CID 7911
3-methylbutanamide;propanal
CID 145275365
2-fluoro-5-methyl-3-oxohexanamide
CID 174880296
ethyl 5-methyl-3-oxohexanoate;methane;4-methylpentan-2-one
CID 157281866
(4S)-4-amino-3-oxopentanamide
CID 23519305

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxohexanamide?
The IUPAC name of 5-methyl-3-oxohexanamide (CID 140847068) is 5-methyl-3-oxohexanamide.
What is the SMILES notation for 5-methyl-3-oxohexanamide?
The canonical SMILES for 5-methyl-3-oxohexanamide is CC(C)CC(=O)CC(N)=O.
What is the InChIKey of 5-methyl-3-oxohexanamide?
The InChIKey is ZPMOTBRYJCNPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(2)3-6(9)4-7(8)10/h5H,3-4H2,1-2H3,(H2,8,10).
What are the key properties of 5-methyl-3-oxohexanamide?
5-methyl-3-oxohexanamide has a molecular weight of 143.19 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxohexanamide is sourced from PubChem (CID 140847068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).