2,5-dicinnamylidenecyclopentan-1-one

C23H20O — CID 2806566

IUPAC2,5-dicinnamylidenecyclopentan-1-one
SMILESO=C1C(=CC=Cc2ccccc2)CCC1=CC=Cc1ccccc1
InChIInChI=1S/C23H20O/c24-23-21(15-7-13-19-9-3-1-4-10-19)17-18-22(23)16-8-14-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyQMOAOGJBIBSQOO-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.63
Rot. Bonds4

About 2,5-dicinnamylidenecyclopentan-1-one

2,5-dicinnamylidenecyclopentan-1-one (PubChem CID 2806566) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is 2,5-dicinnamylidenecyclopentan-1-one.

Molecular Properties

Compound Name2,5-dicinnamylidenecyclopentan-1-one
PubChem CID2806566
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name2,5-dicinnamylidenecyclopentan-1-one
SMILESO=C1C(=CC=Cc2ccccc2)CCC1=CC=Cc1ccccc1
InChIInChI=1S/C23H20O/c24-23-21(15-7-13-19-9-3-1-4-10-19)17-18-22(23)16-8-14-20-11-5-2-6-12-20/h1-16H,17-18H2
InChIKeyQMOAOGJBIBSQOO-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

(2Z,5E)-2,5-bis[(Z)-3-phenylprop-2-enylidene]cyclopentan-1-one
CID 42545090
(2E,7E)-2,7-bis[(Z)-3-phenylprop-2-enylidene]cycloheptan-1-one
CID 92533937
2-cinnamylidene-5-(1,3-dithian-2-ylidene)cyclopentan-1-one
CID 78146457
(2E,6E)-2,6-bis[(E)-3-(4-aminophenyl)prop-2-enylidene]cyclohexan-1-one
CID 144552315
2,5-bis[5-[4-(dimethylamino)phenyl]penta-2,4-dienylidene]cyclopentan-1-one
CID 172844935
ethyl 3,5-dicinnamylidene-4-oxopiperidine-1-carboxylate
CID 1283579
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(E)-3-cyclohexylideneprop-1-enyl]benzene
CID 10878135
(1S,3E,5R)-3-[(E)-3-phenylprop-2-enylidene]-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 139204723
(3E)-3-[(E)-3-phenylprop-2-enylidene]-1,4-dihydroquinolin-2-one
CID 130185154
(NZ)-N-[(2Z)-2-[(E)-3-phenylprop-2-enylidene]cyclohexylidene]hydroxylamine
CID 6376016

Frequently Asked Questions

What is the IUPAC name of 2,5-dicinnamylidenecyclopentan-1-one?
The IUPAC name of 2,5-dicinnamylidenecyclopentan-1-one (CID 2806566) is 2,5-dicinnamylidenecyclopentan-1-one.
What is the SMILES notation for 2,5-dicinnamylidenecyclopentan-1-one?
The canonical SMILES for 2,5-dicinnamylidenecyclopentan-1-one is O=C1C(=CC=Cc2ccccc2)CCC1=CC=Cc1ccccc1.
What is the InChIKey of 2,5-dicinnamylidenecyclopentan-1-one?
The InChIKey is QMOAOGJBIBSQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c24-23-21(15-7-13-19-9-3-1-4-10-19)17-18-22(23)16-8-14-20-11-5-2-6-12-20/h1-16H,17-18H2.
What are the key properties of 2,5-dicinnamylidenecyclopentan-1-one?
2,5-dicinnamylidenecyclopentan-1-one has a molecular weight of 312.41 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicinnamylidenecyclopentan-1-one is sourced from PubChem (CID 2806566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).