(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one

C9H11NO — CID 102348765

IUPAC(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one
SMILES[H]/N=C1\CCCC(=O)\C1=C/C=C
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4-,10-8+
InChIKeyBBSBMUPAUVZDMT-WIXOJMCHSA-N
MW149.19 g/mol
LogP1.87
Rot. Bonds1

About (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one

(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one (PubChem CID 102348765) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one
PubChem CID102348765
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one
SMILES[H]/N=C1\CCCC(=O)\C1=C/C=C
InChIInChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4-,10-8+
InChIKeyBBSBMUPAUVZDMT-WIXOJMCHSA-N
XLogP1.87
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Cyclohexa-1,5-dien-1-yl-4-iminobutanoyl fluoride
CID 143182883
2-(6-Iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
CID 90755764
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
2,3-Diethyl-4-iminocyclohexa-2,5-dien-1-one
CID 54009764
2-Ethylidene-5-iminocyclohexane-1,4-dione
CID 90860502
1-[(4Z,6Z)-8-iminocycloocta-1,4,6-trien-1-yl]ethanone
CID 91105970
3-But-2-enylidene-5-iminohexane-2,4-dione
CID 123328689
(7E)-9-imino-7-methyl-4,6-dimethylidenedeca-2,7-dien-5-one
CID 123368774
1-(4-Imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 123555746
4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
CID 123775770
4-(2,6-Diiminoheptan-4-ylidene)cyclohex-2-en-1-one
CID 123982835
1-(5-Ethanimidoylcyclohexa-1,5-dien-1-yl)ethanone
CID 129215798

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The IUPAC name of (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one (CID 102348765) is (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one.
What is the SMILES notation for (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The canonical SMILES for (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one is [H]/N=C1\CCCC(=O)\C1=C/C=C.
What is the InChIKey of (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The InChIKey is BBSBMUPAUVZDMT-WIXOJMCHSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-7-8(10)5-3-6-9(7)11/h2,4,10H,1,3,5-6H2/b7-4-,10-8+.
What are the key properties of (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
(2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one has a molecular weight of 149.19 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-imino-2-prop-2-enylidenecyclohexan-1-one is sourced from PubChem (CID 102348765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).