2-(1-phenylnonylidene)cyclopentan-1-one

C20H28O — CID 71428415

IUPAC2-(1-phenylnonylidene)cyclopentan-1-one
SMILESCCCCCCCCC(=C1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-10-14-18(17-12-8-7-9-13-17)19-15-11-16-20(19)21/h7-9,12-13H,2-6,10-11,14-16H2,1H3
InChIKeyLTCLJBHSVRRAAR-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.94
Rot. Bonds8

About 2-(1-phenylnonylidene)cyclopentan-1-one

2-(1-phenylnonylidene)cyclopentan-1-one (PubChem CID 71428415) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-(1-phenylnonylidene)cyclopentan-1-one.

Molecular Properties

Compound Name2-(1-phenylnonylidene)cyclopentan-1-one
PubChem CID71428415
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name2-(1-phenylnonylidene)cyclopentan-1-one
SMILESCCCCCCCCC(=C1CCCC1=O)c1ccccc1
InChIInChI=1S/C20H28O/c1-2-3-4-5-6-10-14-18(17-12-8-7-9-13-17)19-15-11-16-20(19)21/h7-9,12-13H,2-6,10-11,14-16H2,1H3
InChIKeyLTCLJBHSVRRAAR-UHFFFAOYSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one
CID 11218730
1-phenylheptadecan-1-one
CID 577626
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
(3E)-4-ethyl-3-(1-phenylheptylidene)oxetan-2-one
CID 71530857
cyclobutanone;undecanoic acid
CID 53445946
benzoic acid;octan-2-one
CID 174815510
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
1,1-difluorohept-1-en-2-ylbenzene
CID 10954812
CID 132915644
CID 132915644
2-(1-phenylheptylidene)propanedioic acid
CID 90121852
(Z)-3-methyl-2-phenylundec-2-enoic acid
CID 152642360
[(E)-4-fluorotetradec-3-en-3-yl]benzene
CID 102385844

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylnonylidene)cyclopentan-1-one?
The IUPAC name of 2-(1-phenylnonylidene)cyclopentan-1-one (CID 71428415) is 2-(1-phenylnonylidene)cyclopentan-1-one.
What is the SMILES notation for 2-(1-phenylnonylidene)cyclopentan-1-one?
The canonical SMILES for 2-(1-phenylnonylidene)cyclopentan-1-one is CCCCCCCCC(=C1CCCC1=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylnonylidene)cyclopentan-1-one?
The InChIKey is LTCLJBHSVRRAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-2-3-4-5-6-10-14-18(17-12-8-7-9-13-17)19-15-11-16-20(19)21/h7-9,12-13H,2-6,10-11,14-16H2,1H3.
What are the key properties of 2-(1-phenylnonylidene)cyclopentan-1-one?
2-(1-phenylnonylidene)cyclopentan-1-one has a molecular weight of 284.44 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylnonylidene)cyclopentan-1-one is sourced from PubChem (CID 71428415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).