(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one

C14H16O — CID 122707370

IUPAC(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
SMILESCCc1ccc(/C=C2\CCCC2=O)cc1
InChIInChI=1S/C14H16O/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(13)15/h6-10H,2-5H2,1H3/b13-10+
InChIKeyBKMZXCUIAUHZON-JLHYYAGUSA-N
MW200.28 g/mol
LogP3.39
Rot. Bonds2

About (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one

(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one (PubChem CID 122707370) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
PubChem CID122707370
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
SMILESCCc1ccc(/C=C2\CCCC2=O)cc1
InChIInChI=1S/C14H16O/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(13)15/h6-10H,2-5H2,1H3/b13-10+
InChIKeyBKMZXCUIAUHZON-JLHYYAGUSA-N
XLogP3.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.39
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-[(4-ethylphenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one (CID 122707370) is (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one is CCc1ccc(/C=C2\CCCC2=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one?
The InChIKey is BKMZXCUIAUHZON-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H16O/c1-2-11-6-8-12(9-7-11)10-13-4-3-5-14(13)15/h6-10H,2-5H2,1H3/b13-10+.
What are the key properties of (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one?
(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one has a molecular weight of 200.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 122707370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).