2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one

C11H17NO — CID 123735445

IUPAC2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one
SMILESC=C1CCC(C)C(=O)C1=CN(C)C
InChIInChI=1S/C11H17NO/c1-8-5-6-9(2)11(13)10(8)7-12(3)4/h7,9H,1,5-6H2,2-4H3
InChIKeyDHJJAPNZIXTKRB-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.99
Rot. Bonds1

About 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one

2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one (PubChem CID 123735445) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one
PubChem CID123735445
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one
SMILESC=C1CCC(C)C(=O)C1=CN(C)C
InChIInChI=1S/C11H17NO/c1-8-5-6-9(2)11(13)10(8)7-12(3)4/h7,9H,1,5-6H2,2-4H3
InChIKeyDHJJAPNZIXTKRB-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-N,N-dimethyl-1-[(2S)-2-methyl-5-methylidenecyclopentylidene]methanamine;ethane
CID 178040575
(3S)-3-methyl-2-methylidenecyclopentan-1-one
CID 11789153
(2E)-2-(dimethylaminomethylidene)-4-prop-2-enylcyclohexane-1,3-dione
CID 66669177
(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
CID 63706279
1-methyl-2-methylidenecyclobutane
CID 20800914
(1E)-N,N-dimethyl-1-(3-methylidenethiolan-2-ylidene)methanamine;ethane
CID 142056566
2-imino-5-methylcyclopentan-1-one
CID 119097697
2-(dimethylaminomethylidene)-5-propylcyclopentan-1-one
CID 126749420
(6E)-2-tert-butyl-6-(dimethylaminomethylidene)cyclohexan-1-one
CID 67096124
(2E)-4-cyclobutyl-2-(dimethylaminomethylidene)cyclohexan-1-one
CID 178198046
methyl (3Z)-3-(dimethylaminomethylidene)-6-methyl-2,4-dioxocyclohexane-1-carboxylate
CID 66489405
3-methoxy-6-methyl-2-prop-2-enylcyclohex-2-en-1-one
CID 86166631

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one?
The IUPAC name of 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one (CID 123735445) is 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one.
What is the SMILES notation for 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one?
The canonical SMILES for 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one is C=C1CCC(C)C(=O)C1=CN(C)C.
What is the InChIKey of 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one?
The InChIKey is DHJJAPNZIXTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-9(2)11(13)10(8)7-12(3)4/h7,9H,1,5-6H2,2-4H3.
What are the key properties of 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one?
2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one is sourced from PubChem (CID 123735445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).