3,3-dimethyl-2-methylidene-5-oxohexanamide

C9H15NO2 — CID 19959854

IUPAC3,3-dimethyl-2-methylidene-5-oxohexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)=O
InChIInChI=1S/C9H15NO2/c1-6(11)5-9(3,4)7(2)8(10)12/h2,5H2,1,3-4H3,(H2,10,12)
InChIKeyHPOLVEFONVNCOK-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.03
Rot. Bonds4

About 3,3-dimethyl-2-methylidene-5-oxohexanamide

3,3-dimethyl-2-methylidene-5-oxohexanamide (PubChem CID 19959854) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-5-oxohexanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-5-oxohexanamide
PubChem CID19959854
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3,3-dimethyl-2-methylidene-5-oxohexanamide
SMILESC=C(C(N)=O)C(C)(C)CC(C)=O
InChIInChI=1S/C9H15NO2/c1-6(11)5-9(3,4)7(2)8(10)12/h2,5H2,1,3-4H3,(H2,10,12)
InChIKeyHPOLVEFONVNCOK-UHFFFAOYSA-N
XLogP1.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-5-oxohexanamide?
The IUPAC name of 3,3-dimethyl-2-methylidene-5-oxohexanamide (CID 19959854) is 3,3-dimethyl-2-methylidene-5-oxohexanamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-5-oxohexanamide?
The canonical SMILES for 3,3-dimethyl-2-methylidene-5-oxohexanamide is C=C(C(N)=O)C(C)(C)CC(C)=O.
What is the InChIKey of 3,3-dimethyl-2-methylidene-5-oxohexanamide?
The InChIKey is HPOLVEFONVNCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(11)5-9(3,4)7(2)8(10)12/h2,5H2,1,3-4H3,(H2,10,12).
What are the key properties of 3,3-dimethyl-2-methylidene-5-oxohexanamide?
3,3-dimethyl-2-methylidene-5-oxohexanamide has a molecular weight of 169.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-5-oxohexanamide is sourced from PubChem (CID 19959854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).