(2E)-2-phenacylidenecyclopentan-1-one

C13H12O2 — CID 67785446

IUPAC(2E)-2-phenacylidenecyclopentan-1-one
SMILESO=C1CCC/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C13H12O2/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+
InChIKeySIDPOBYNKODGGN-PKNBQFBNSA-N
MW200.24 g/mol
LogP2.55
Rot. Bonds2

About (2E)-2-phenacylidenecyclopentan-1-one

(2E)-2-phenacylidenecyclopentan-1-one (PubChem CID 67785446) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2E)-2-phenacylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-phenacylidenecyclopentan-1-one
PubChem CID67785446
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2E)-2-phenacylidenecyclopentan-1-one
SMILESO=C1CCC/C1=C\C(=O)c1ccccc1
InChIInChI=1S/C13H12O2/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+
InChIKeySIDPOBYNKODGGN-PKNBQFBNSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.55
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 (2E)-2-phenacylidenecyclopentan-1-one?
The IUPAC name of (2E)-2-phenacylidenecyclopentan-1-one (CID 67785446) is (2E)-2-phenacylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-2-phenacylidenecyclopentan-1-one?
The canonical SMILES for (2E)-2-phenacylidenecyclopentan-1-one is O=C1CCC/C1=C\C(=O)c1ccccc1.
What is the InChIKey of (2E)-2-phenacylidenecyclopentan-1-one?
The InChIKey is SIDPOBYNKODGGN-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H12O2/c14-12-8-4-7-11(12)9-13(15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+.
What are the key properties of (2E)-2-phenacylidenecyclopentan-1-one?
(2E)-2-phenacylidenecyclopentan-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenacylidenecyclopentan-1-one is sourced from PubChem (CID 67785446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).