(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one

C11H11NO — CID 138657118

IUPAC(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one
SMILES[H]/N=C1\C=CC(=C/C)/C(=C\C=C)C1=O
InChIInChI=1S/C11H11NO/c1-3-5-9-8(4-2)6-7-10(12)11(9)13/h3-7,12H,1H2,2H3/b8-4-,9-5+,12-10+
InChIKeyVBFJBEHXPJSYMA-FKTBRLHCSA-N
MW173.21 g/mol
LogP2.20
Rot. Bonds1

About (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one

(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one (PubChem CID 138657118) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one.

Molecular Properties

Compound Name(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one
PubChem CID138657118
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one
SMILES[H]/N=C1\C=CC(=C/C)/C(=C\C=C)C1=O
InChIInChI=1S/C11H11NO/c1-3-5-9-8(4-2)6-7-10(12)11(9)13/h3-7,12H,1H2,2H3/b8-4-,9-5+,12-10+
InChIKeyVBFJBEHXPJSYMA-FKTBRLHCSA-N
XLogP2.20
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one?
The IUPAC name of (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one (CID 138657118) is (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one.
What is the SMILES notation for (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one?
The canonical SMILES for (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one is [H]/N=C1\C=CC(=C/C)/C(=C\C=C)C1=O.
What is the InChIKey of (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one?
The InChIKey is VBFJBEHXPJSYMA-FKTBRLHCSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-5-9-8(4-2)6-7-10(12)11(9)13/h3-7,12H,1H2,2H3/b8-4-,9-5+,12-10+.
What are the key properties of (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one?
(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one has a molecular weight of 173.21 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one is sourced from PubChem (CID 138657118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).