[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium

C12H16NO+ — CID 135015036

IUPAC[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
SMILES[NH2+]=C1CCCCC1C1C=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/p+1
InChIKeyUNIDSMNKYOZWOB-UHFFFAOYSA-O
MW190.27 g/mol
LogP0.69
Rot. Bonds1

About [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium

[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium (PubChem CID 135015036) has the molecular formula C12H16NO+ and a molecular weight of 190.27 g/mol. Its IUPAC name is [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium.

Molecular Properties

Compound Name[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
PubChem CID135015036
Molecular FormulaC12H16NO+
Molecular Weight190.27 g/mol
Exact Mass190.12
IUPAC Name[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium
SMILES[NH2+]=C1CCCCC1C1C=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/p+1
InChIKeyUNIDSMNKYOZWOB-UHFFFAOYSA-O
XLogP0.69
TPSA42.66 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,4a,7,8,9,9a-octahydro-1H-benzo[7]annulen-6-yl)-8-(5-fluorocyclohexa-1,3-dien-1-yl)-6-iminooctane-1,5-dione
CID 144101157
5-Imino-1,3,4,4a,6,8a-hexahydronaphthalen-2-one
CID 57115373
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
4,5-Dimethyl-6-propanimidoyldeca-1,6-dien-3-one
CID 123237655
3-Imino-2-(2-methylhexa-3,5-dienyl)cyclohexan-1-one
CID 123323603
1-[5-Imino-2-(2-methylpropyl)cyclohex-3-en-1-yl]prop-2-en-1-one
CID 123709377
3-Imino-2-(2-methylidenehexa-3,5-dienyl)cyclohexan-1-one
CID 124025671
1-Imino-4a,5,6,7,8,8a-hexahydronaphthalen-2-one
CID 141766654
2-Imino-6-methyl-6,6a-dihydrophenalene-1,3-dione
CID 142174216
4a,7,8-trimethyl-7-propanimidoyl-4,4b,5,6,8,8a-hexahydro-3H-phenanthren-2-one
CID 143166235
4-imino-2,5,6-trimethyl-3-[(E)-3-methylhex-2-enyl]cyclohex-2-en-1-one
CID 163456522

Frequently Asked Questions

What is the IUPAC name of [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium?
The IUPAC name of [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium (CID 135015036) is [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium.
What is the SMILES notation for [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium?
The canonical SMILES for [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium is [NH2+]=C1CCCCC1C1C=CC=CC1=O.
What is the InChIKey of [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium?
The InChIKey is UNIDSMNKYOZWOB-UHFFFAOYSA-O. 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/p+1.
What are the key properties of [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium?
[2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium has a molecular weight of 190.27 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-oxocyclohexa-2,4-dien-1-yl)cyclohexylidene]azanium is sourced from PubChem (CID 135015036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).