2-(dimethylaminomethylidene)cyclohexan-1-one

C9H15NO — CID 23278660

IUPAC2-(dimethylaminomethylidene)cyclohexan-1-one
SMILESCN(C)C=C1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3
InChIKeyUQRGFCOZZZCUDG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About 2-(dimethylaminomethylidene)cyclohexan-1-one

2-(dimethylaminomethylidene)cyclohexan-1-one (PubChem CID 23278660) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(dimethylaminomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(dimethylaminomethylidene)cyclohexan-1-one
PubChem CID23278660
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(dimethylaminomethylidene)cyclohexan-1-one
SMILESCN(C)C=C1CCCCC1=O
InChIInChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3
InChIKeyUQRGFCOZZZCUDG-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
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 2-(dimethylaminomethylidene)cyclohexan-1-one?
The IUPAC name of 2-(dimethylaminomethylidene)cyclohexan-1-one (CID 23278660) is 2-(dimethylaminomethylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(dimethylaminomethylidene)cyclohexan-1-one?
The canonical SMILES for 2-(dimethylaminomethylidene)cyclohexan-1-one is CN(C)C=C1CCCCC1=O.
What is the InChIKey of 2-(dimethylaminomethylidene)cyclohexan-1-one?
The InChIKey is UQRGFCOZZZCUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)7-8-5-3-4-6-9(8)11/h7H,3-6H2,1-2H3.
What are the key properties of 2-(dimethylaminomethylidene)cyclohexan-1-one?
2-(dimethylaminomethylidene)cyclohexan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylaminomethylidene)cyclohexan-1-one is sourced from PubChem (CID 23278660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).