(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one

C17H22O — CID 11218730

IUPAC(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one
SMILESCCCC/C(=C1/CCCC1=O)c1ccc(C)cc1
InChIInChI=1S/C17H22O/c1-3-4-6-15(16-7-5-8-17(16)18)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3/b16-15+
InChIKeyIZDNTLXDENGPBV-FOCLMDBBSA-N
MW242.36 g/mol
LogP4.69
Rot. Bonds4

About (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one

(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one (PubChem CID 11218730) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one
PubChem CID11218730
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one
SMILESCCCC/C(=C1/CCCC1=O)c1ccc(C)cc1
InChIInChI=1S/C17H22O/c1-3-4-6-15(16-7-5-8-17(16)18)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3/b16-15+
InChIKeyIZDNTLXDENGPBV-FOCLMDBBSA-N
XLogP4.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one (CID 11218730) is (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one is CCCC/C(=C1/CCCC1=O)c1ccc(C)cc1.
What is the InChIKey of (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one?
The InChIKey is IZDNTLXDENGPBV-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H22O/c1-3-4-6-15(16-7-5-8-17(16)18)14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3/b16-15+.
What are the key properties of (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one?
(2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(4-methylphenyl)pentylidene]cyclopentan-1-one is sourced from PubChem (CID 11218730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).