(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one

C18H22O — CID 6107778

IUPAC(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one
SMILESCc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H22O/c1-13-6-8-14(9-7-13)12-16-10-11-17(18(16)19)15-4-2-3-5-15/h6-9,12,15,17H,2-5,10-11H2,1H3/b16-12+
InChIKeySMPHJPBYPSFKHQ-FOWTUZBSSA-N
MW254.37 g/mol
LogP4.55
Rot. Bonds2

About (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one

(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one (PubChem CID 6107778) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one
PubChem CID6107778
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one
SMILESCc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H22O/c1-13-6-8-14(9-7-13)12-16-10-11-17(18(16)19)15-4-2-3-5-15/h6-9,12,15,17H,2-5,10-11H2,1H3/b16-12+
InChIKeySMPHJPBYPSFKHQ-FOWTUZBSSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.55
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 (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one (CID 6107778) is (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one is Cc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1.
What is the InChIKey of (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one?
The InChIKey is SMPHJPBYPSFKHQ-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H22O/c1-13-6-8-14(9-7-13)12-16-10-11-17(18(16)19)15-4-2-3-5-15/h6-9,12,15,17H,2-5,10-11H2,1H3/b16-12+.
What are the key properties of (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one?
(5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one has a molecular weight of 254.37 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentyl-5-[(4-methylphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 6107778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).