(3S)-3-methyl-2-oxohexanamide

C7H13NO2 — CID 145466724

IUPAC(3S)-3-methyl-2-oxohexanamide
SMILESCCC[C@H](C)C(=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-4-5(2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)/t5-/m0/s1
InChIKeyDAKHTOCXEONJOR-YFKPBYRVSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds4

About (3S)-3-methyl-2-oxohexanamide

(3S)-3-methyl-2-oxohexanamide (PubChem CID 145466724) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3S)-3-methyl-2-oxohexanamide.

Molecular Properties

Compound Name(3S)-3-methyl-2-oxohexanamide
PubChem CID145466724
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3S)-3-methyl-2-oxohexanamide
SMILESCCC[C@H](C)C(=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-3-4-5(2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)/t5-/m0/s1
InChIKeyDAKHTOCXEONJOR-YFKPBYRVSA-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-oxohexanimidamide
CID 141053375
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
(6S)-4,6-dimethylnonan-5-one
CID 177467625
2,2,5-trimethyloctane-3,4-dione
CID 11191887
neodymium;tris(2,2,5-trimethyloctane-3,4-dione)
CID 175833712
λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
CID 173200803
(4R)-4-methylheptan-3-one
CID 12696684
(4R)-2,4-dimethylheptan-3-one
CID 6999069
CID 159174397
CID 159174397
(2R)-2-methylpentanoyl chloride
CID 7160703
2-methylpentanehydrazide
CID 43183484
lithium 2-methylpentanoate
CID 122554466

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2-oxohexanamide?
The IUPAC name of (3S)-3-methyl-2-oxohexanamide (CID 145466724) is (3S)-3-methyl-2-oxohexanamide.
What is the SMILES notation for (3S)-3-methyl-2-oxohexanamide?
The canonical SMILES for (3S)-3-methyl-2-oxohexanamide is CCC[C@H](C)C(=O)C(N)=O.
What is the InChIKey of (3S)-3-methyl-2-oxohexanamide?
The InChIKey is DAKHTOCXEONJOR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5(2)6(9)7(8)10/h5H,3-4H2,1-2H3,(H2,8,10)/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-2-oxohexanamide?
(3S)-3-methyl-2-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 (3S)-3-methyl-2-oxohexanamide is sourced from PubChem (CID 145466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).