2-methylidene-3-phenylcyclopentan-1-one

C12H12O — CID 24978032

IUPAC2-methylidene-3-phenylcyclopentan-1-one
SMILESC=C1C(=O)CCC1c1ccccc1
InChIInChI=1S/C12H12O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyIOJJHGWUCUNJQH-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.69
Rot. Bonds1

About 2-methylidene-3-phenylcyclopentan-1-one

2-methylidene-3-phenylcyclopentan-1-one (PubChem CID 24978032) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methylidene-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-methylidene-3-phenylcyclopentan-1-one
PubChem CID24978032
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name2-methylidene-3-phenylcyclopentan-1-one
SMILESC=C1C(=O)CCC1c1ccccc1
InChIInChI=1S/C12H12O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
InChIKeyIOJJHGWUCUNJQH-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.69
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 2-methylidene-3-phenylcyclopentan-1-one?
The IUPAC name of 2-methylidene-3-phenylcyclopentan-1-one (CID 24978032) is 2-methylidene-3-phenylcyclopentan-1-one.
What is the SMILES notation for 2-methylidene-3-phenylcyclopentan-1-one?
The canonical SMILES for 2-methylidene-3-phenylcyclopentan-1-one is C=C1C(=O)CCC1c1ccccc1.
What is the InChIKey of 2-methylidene-3-phenylcyclopentan-1-one?
The InChIKey is IOJJHGWUCUNJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-9-11(7-8-12(9)13)10-5-3-2-4-6-10/h2-6,11H,1,7-8H2.
What are the key properties of 2-methylidene-3-phenylcyclopentan-1-one?
2-methylidene-3-phenylcyclopentan-1-one has a molecular weight of 172.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-phenylcyclopentan-1-one is sourced from PubChem (CID 24978032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).