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

C9H11NO — CID 131863423

IUPAC(2E)-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-DAAQNPAKSA-N
MW149.19 g/mol
LogP1.87
Rot. Bonds1

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

(2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one (PubChem CID 131863423) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one
PubChem CID131863423
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(2E)-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-DAAQNPAKSA-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

3-imino-2-(3-methylbut-2-enylidene)cyclohexan-1-one
CID 71427205
2-methylidenecyclopentan-1-imine
CID 142910632
CID 59101991
CID 59101991
CID 59101990
CID 59101990
(2,6-dioxocyclohexylidene)methanethiolate;gold(1+)
CID 59101986
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenecyclohexan-1-one;ethane
CID 143678786
2-ethenyl-3-methoxycyclohex-2-en-1-one
CID 45116896
3-amino-2-(2-methylpropanimidoyl)cyclohex-2-en-1-one
CID 145188054
ethyl (2E)-3-bromo-2-(2-imino-6-oxocyclohexylidene)propanoate
CID 21243575
cyclohexane-1,2,3,4-tetraimine
CID 91465388
(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one
CID 170057913
thiane-2,3-diimine
CID 123238597

Frequently Asked Questions

What is the IUPAC name of (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The IUPAC name of (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one (CID 131863423) is (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one.
What is the SMILES notation for (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The canonical SMILES for (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one is [H]/N=C1\CCCC(=O)\C1=C\C=C.
What is the InChIKey of (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
The InChIKey is BBSBMUPAUVZDMT-DAAQNPAKSA-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 (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one?
(2E)-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 (2E)-3-imino-2-prop-2-enylidenecyclohexan-1-one is sourced from PubChem (CID 131863423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).