(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one

C15H22N2O — CID 2272840

IUPAC(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
SMILESCN(C)/C=C/C=C1\CC/C(=C\C=C\N(C)C)C1=O
InChIInChI=1S/C15H22N2O/c1-16(2)11-5-7-13-9-10-14(15(13)18)8-6-12-17(3)4/h5-8,11-12H,9-10H2,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeyBZIQULGWFPDBIZ-JRXATRHQSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one

(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one (PubChem CID 2272840) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
PubChem CID2272840
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
SMILESCN(C)/C=C/C=C1\CC/C(=C\C=C\N(C)C)C1=O
InChIInChI=1S/C15H22N2O/c1-16(2)11-5-7-13-9-10-14(15(13)18)8-6-12-17(3)4/h5-8,11-12H,9-10H2,1-4H3/b11-5+,12-6+,13-7+,14-8+
InChIKeyBZIQULGWFPDBIZ-JRXATRHQSA-N
XLogP2.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
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,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The IUPAC name of (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one (CID 2272840) is (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The canonical SMILES for (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one is CN(C)/C=C/C=C1\CC/C(=C\C=C\N(C)C)C1=O.
What is the InChIKey of (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The InChIKey is BZIQULGWFPDBIZ-JRXATRHQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)11-5-7-13-9-10-14(15(13)18)8-6-12-17(3)4/h5-8,11-12H,9-10H2,1-4H3/b11-5+,12-6+,13-7+,14-8+.
What are the key properties of (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
(2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2,5-bis[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one is sourced from PubChem (CID 2272840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).