2-(anilinomethyl)cyclohex-2-en-1-one

C13H15NO — CID 134853640

IUPAC2-(anilinomethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CNc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,6-8,14H,4-5,9-10H2
InChIKeyGMDSCLARUVSCSD-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds3

About 2-(anilinomethyl)cyclohex-2-en-1-one

2-(anilinomethyl)cyclohex-2-en-1-one (PubChem CID 134853640) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(anilinomethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-(anilinomethyl)cyclohex-2-en-1-one
PubChem CID134853640
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(anilinomethyl)cyclohex-2-en-1-one
SMILESO=C1CCCC=C1CNc1ccccc1
InChIInChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,6-8,14H,4-5,9-10H2
InChIKeyGMDSCLARUVSCSD-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)cyclohex-2-en-1-one?
The IUPAC name of 2-(anilinomethyl)cyclohex-2-en-1-one (CID 134853640) is 2-(anilinomethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 2-(anilinomethyl)cyclohex-2-en-1-one?
The canonical SMILES for 2-(anilinomethyl)cyclohex-2-en-1-one is O=C1CCCC=C1CNc1ccccc1.
What is the InChIKey of 2-(anilinomethyl)cyclohex-2-en-1-one?
The InChIKey is GMDSCLARUVSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-9-5-4-6-11(13)10-14-12-7-2-1-3-8-12/h1-3,6-8,14H,4-5,9-10H2.
What are the key properties of 2-(anilinomethyl)cyclohex-2-en-1-one?
2-(anilinomethyl)cyclohex-2-en-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 134853640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).