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

C19H24O2 — CID 6040120

IUPAC(5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one
SMILESCCOc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C19H24O2/c1-2-21-17-10-7-14(8-11-17)13-16-9-12-18(19(16)20)15-5-3-4-6-15/h7-8,10-11,13,15,18H,2-6,9,12H2,1H3/b16-13+
InChIKeyMVZFLRFXIMQFPU-DTQAZKPQSA-N
MW284.40 g/mol
LogP4.64
Rot. Bonds4

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

(5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one (PubChem CID 6040120) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one
PubChem CID6040120
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one
SMILESCCOc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1
InChIInChI=1S/C19H24O2/c1-2-21-17-10-7-14(8-11-17)13-16-9-12-18(19(16)20)15-5-3-4-6-15/h7-8,10-11,13,15,18H,2-6,9,12H2,1H3/b16-13+
InChIKeyMVZFLRFXIMQFPU-DTQAZKPQSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.64
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-ethoxyphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one (CID 6040120) is (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one is CCOc1ccc(/C=C2\CCC(C3CCCC3)C2=O)cc1.
What is the InChIKey of (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one?
The InChIKey is MVZFLRFXIMQFPU-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-21-17-10-7-14(8-11-17)13-16-9-12-18(19(16)20)15-5-3-4-6-15/h7-8,10-11,13,15,18H,2-6,9,12H2,1H3/b16-13+.
What are the key properties of (5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one?
(5E)-2-cyclopentyl-5-[(4-ethoxyphenyl)methylidene]cyclopentan-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.64, 4 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-ethoxyphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 6040120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).