2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one

C11H15NO — CID 144683754

IUPAC2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one
SMILESC=CC1=C(N=C)CCC(C)(C)C1=O
InChIInChI=1S/C11H15NO/c1-5-8-9(12-4)6-7-11(2,3)10(8)13/h5H,1,4,6-7H2,2-3H3
InChIKeyVJPDMUMHQDRYOR-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.52
Rot. Bonds2

About 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one

2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one (PubChem CID 144683754) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one
PubChem CID144683754
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one
SMILESC=CC1=C(N=C)CCC(C)(C)C1=O
InChIInChI=1S/C11H15NO/c1-5-8-9(12-4)6-7-11(2,3)10(8)13/h5H,1,4,6-7H2,2-3H3
InChIKeyVJPDMUMHQDRYOR-UHFFFAOYSA-N
XLogP2.52
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one?
The IUPAC name of 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one (CID 144683754) is 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one.
What is the SMILES notation for 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one?
The canonical SMILES for 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one is C=CC1=C(N=C)CCC(C)(C)C1=O.
What is the InChIKey of 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one?
The InChIKey is VJPDMUMHQDRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-8-9(12-4)6-7-11(2,3)10(8)13/h5H,1,4,6-7H2,2-3H3.
What are the key properties of 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one?
2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one has a molecular weight of 177.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6,6-dimethyl-3-(methylideneamino)cyclohex-2-en-1-one is sourced from PubChem (CID 144683754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).