(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one

C10H17NO — CID 63706279

IUPAC(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)/C(=C\N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyIGJYUSLWISTZLQ-CLFYSBASSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds1

About (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one

(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one (PubChem CID 63706279) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
PubChem CID63706279
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one
SMILESCC1CCC(=O)/C(=C\N(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h7-8H,4-6H2,1-3H3/b9-7-
InChIKeyIGJYUSLWISTZLQ-CLFYSBASSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one?
The IUPAC name of (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one (CID 63706279) is (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one is CC1CCC(=O)/C(=C\N(C)C)C1.
What is the InChIKey of (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one?
The InChIKey is IGJYUSLWISTZLQ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h7-8H,4-6H2,1-3H3/b9-7-.
What are the key properties of (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one?
(2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one has a molecular weight of 167.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(dimethylaminomethylidene)-4-methylcyclohexan-1-one is sourced from PubChem (CID 63706279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).