2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one

C12H15NO — CID 102508373

IUPAC2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one
SMILES[H]/N=C1\C=CC=CC1C1CCCCC1=O
InChIInChI=1S/C12H15NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,9-10,13H,2,4,6,8H2/b13-11+
InChIKeyDSVZHAODDOGZOZ-ACCUITESSA-N
MW189.26 g/mol
LogP2.51
Rot. Bonds1

About 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one

2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one (PubChem CID 102508373) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one
PubChem CID102508373
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one
SMILES[H]/N=C1\C=CC=CC1C1CCCCC1=O
InChIInChI=1S/C12H15NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,9-10,13H,2,4,6,8H2/b13-11+
InChIKeyDSVZHAODDOGZOZ-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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Related Compounds

[2-(6-Oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
CID 135015036
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
1-(2-Bicyclo[4.1.0]hepta-2,4-dienyl)-1-iminopropan-2-one
CID 89336565
3-Imino-5,5-dimethyl-2-(3,6,7-trimethylideneundeca-4,8,10-trien-2-yl)cyclohexan-1-one
CID 90711489
6-Imino-2,3,4,4a,5,8a-hexahydronaphthalen-1-one
CID 90712963
1-(4-Iminocyclohex-2-en-1-yl)ethanone
CID 90892543
8-Imino-1,3,5,8a-tetrahydronaphthalen-2-one
CID 91425909
(E)-8-imino-3-methyl-7-methylideneundec-9-en-2-one
CID 123151880
6-imino-4a-methyl-3,4,5,8a-tetrahydro-2H-naphthalen-1-one
CID 123160987
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
6-Imino-2-(4-methylpentyl)cyclohept-4-en-1-one
CID 123590001
1-[5-Imino-2-(2-methylpropyl)cyclohex-3-en-1-yl]prop-2-en-1-one
CID 123709377

Frequently Asked Questions

What is the IUPAC name of 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one (CID 102508373) is 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one is [H]/N=C1\C=CC=CC1C1CCCCC1=O.
What is the InChIKey of 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one?
The InChIKey is DSVZHAODDOGZOZ-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/h1,3,5,7,9-10,13H,2,4,6,8H2/b13-11+.
What are the key properties of 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one?
2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-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 2-(6-iminocyclohexa-2,4-dien-1-yl)cyclohexan-1-one is sourced from PubChem (CID 102508373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).