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

C10H15NO — CID 5373986

IUPAC(2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
SMILESCN(C)/C=C/C=C1\CCCC1=O
InChIInChI=1S/C10H15NO/c1-11(2)8-4-6-9-5-3-7-10(9)12/h4,6,8H,3,5,7H2,1-2H3/b8-4+,9-6+
InChIKeyZJGYSCILCCOQAI-HNJDCKIISA-N
MW165.24 g/mol
LogP1.74
Rot. Bonds2

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

(2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one (PubChem CID 5373986) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
PubChem CID5373986
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one
SMILESCN(C)/C=C/C=C1\CCCC1=O
InChIInChI=1S/C10H15NO/c1-11(2)8-4-6-9-5-3-7-10(9)12/h4,6,8H,3,5,7H2,1-2H3/b8-4+,9-6+
InChIKeyZJGYSCILCCOQAI-HNJDCKIISA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(Dimethylamino)prop-2-enylidene]cyclopentan-1-one
CID 336420
(2E,5E)-2,5-bis[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]cyclopentanone
CID 2272840
(2E,6E)-2-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-6-[(2E)-3-(dimethylamino)prop-2-en-1-ylidene]cyclohexanone
CID 5337820
Isoquinoline, 2,8-dihydro-2-methyl-8-oxo-
CID 23422121
6-Dimethylamino-3-methyl-3,5-hexadien-2-one
CID 59767448
trans-3-Acetyl-6-dimethylamino-3,5-hexadien-2-one
CID 6308619
1-Methyl-4-[(oxocyclohexadienylidene)-ethylidene]-1,4-dihydropyridine
CID 101937158
2-[(Dimethylamino)methylene]-6-[3-(dimethylamino)-2-propen-1-ylidene]cyclohexanone
CID 2265592
(2E,6E)-2,6-bis[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]cyclohexanone
CID 5718811
(3E,5E)-6-(dimethylamino)-3-methylhexa-3,5-dien-2-one
CID 12586537
2-(Dimethylaminomethylene)-6-(3-dimethylamino-2-propenylidene)cyclohexanone
CID 3778383
7-Dimethylamino-4,6-heptadiene-3-one
CID 85441702

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one (CID 5373986) is (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one is CN(C)/C=C/C=C1\CCCC1=O.
What is the InChIKey of (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
The InChIKey is ZJGYSCILCCOQAI-HNJDCKIISA-N. The full InChI is InChI=1S/C10H15NO/c1-11(2)8-4-6-9-5-3-7-10(9)12/h4,6,8H,3,5,7H2,1-2H3/b8-4+,9-6+.
What are the key properties of (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one?
(2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-3-(dimethylamino)prop-2-enylidene]cyclopentan-1-one is sourced from PubChem (CID 5373986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).