(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one

C14H22N2O — CID 2265592

IUPAC(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
SMILESCN(C)/C=C/C=C1\CCC/C(=C\N(C)C)C1=O
InChIInChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3/b10-6+,12-9+,13-11+
InChIKeyFECYBPXTUOJJSM-HTXFNWOKSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds3

About (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one

(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one (PubChem CID 2265592) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
PubChem CID2265592
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one
SMILESCN(C)/C=C/C=C1\CCC/C(=C\N(C)C)C1=O
InChIInChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3/b10-6+,12-9+,13-11+
InChIKeyFECYBPXTUOJJSM-HTXFNWOKSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one (CID 2265592) is (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one is CN(C)/C=C/C=C1\CCC/C(=C\N(C)C)C1=O.
What is the InChIKey of (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
The InChIKey is FECYBPXTUOJJSM-HTXFNWOKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)10-6-9-12-7-5-8-13(14(12)17)11-16(3)4/h6,9-11H,5,7-8H2,1-4H3/b10-6+,12-9+,13-11+.
What are the key properties of (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one?
(2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2-(dimethylaminomethylidene)-6-[(E)-3-(dimethylamino)prop-2-enylidene]cyclohexan-1-one is sourced from PubChem (CID 2265592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).