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

C18H22O2 — CID 6007076

IUPAC(5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H22O2/c1-20-16-9-6-13(7-10-16)12-15-8-11-17(18(15)19)14-4-2-3-5-14/h6-7,9-10,12,14,17H,2-5,8,11H2,1H3/b15-12+
InChIKeyQQBUTKKMPKUTTA-NTCAYCPXSA-N
MW270.37 g/mol
LogP4.25
Rot. Bonds3

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

(5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one (PubChem CID 6007076) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
PubChem CID6007076
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C18H22O2/c1-20-16-9-6-13(7-10-16)12-15-8-11-17(18(15)19)14-4-2-3-5-14/h6-7,9-10,12,14,17H,2-5,8,11H2,1H3/b15-12+
InChIKeyQQBUTKKMPKUTTA-NTCAYCPXSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one (CID 6007076) is (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one is COc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1.
What is the InChIKey of (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one?
The InChIKey is QQBUTKKMPKUTTA-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H22O2/c1-20-16-9-6-13(7-10-16)12-15-8-11-17(18(15)19)14-4-2-3-5-14/h6-7,9-10,12,14,17H,2-5,8,11H2,1H3/b15-12+.
What are the key properties of (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one?
(5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one has a molecular weight of 270.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclopentyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 6007076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).