6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one

C12H15NO — CID 135015037

IUPAC6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one
SMILES[H]/N=C1\CCCCC1C1C=CC=CC1=O
InChIInChI=1S/C12H15NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6,8-10,13H,1,3,5,7H2/b13-11+
InChIKeyUNIDSMNKYOZWOB-ACCUITESSA-N
MW189.26 g/mol
LogP2.51
Rot. Bonds1

About 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one

6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one (PubChem CID 135015037) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one
PubChem CID135015037
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one
SMILES[H]/N=C1\CCCCC1C1C=CC=CC1=O
InChIInChI=1S/C12H15NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6,8-10,13H,1,3,5,7H2/b13-11+
InChIKeyUNIDSMNKYOZWOB-ACCUITESSA-N
XLogP2.51
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one (CID 135015037) is 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one is [H]/N=C1\CCCCC1C1C=CC=CC1=O.
What is the InChIKey of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one?
The InChIKey is UNIDSMNKYOZWOB-ACCUITESSA-N. The full InChI is InChI=1S/C12H15NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h2,4,6,8-10,13H,1,3,5,7H2/b13-11+.
What are the key properties of 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one?
6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-iminocyclohexyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 135015037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).