3-methylidene-5-naphthalen-2-yloxolan-2-one

C15H12O2 — CID 15638841

IUPAC3-methylidene-5-naphthalen-2-yloxolan-2-one
SMILESC=C1CC(c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C15H12O2/c1-10-8-14(17-15(10)16)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9,14H,1,8H2
InChIKeyQPGCZCPQGYMVKP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.38
Rot. Bonds1

About 3-methylidene-5-naphthalen-2-yloxolan-2-one

3-methylidene-5-naphthalen-2-yloxolan-2-one (PubChem CID 15638841) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-methylidene-5-naphthalen-2-yloxolan-2-one.

Molecular Properties

Compound Name3-methylidene-5-naphthalen-2-yloxolan-2-one
PubChem CID15638841
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name3-methylidene-5-naphthalen-2-yloxolan-2-one
SMILESC=C1CC(c2ccc3ccccc3c2)OC1=O
InChIInChI=1S/C15H12O2/c1-10-8-14(17-15(10)16)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9,14H,1,8H2
InChIKeyQPGCZCPQGYMVKP-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.38
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 3-methylidene-5-naphthalen-2-yloxolan-2-one?
The IUPAC name of 3-methylidene-5-naphthalen-2-yloxolan-2-one (CID 15638841) is 3-methylidene-5-naphthalen-2-yloxolan-2-one.
What is the SMILES notation for 3-methylidene-5-naphthalen-2-yloxolan-2-one?
The canonical SMILES for 3-methylidene-5-naphthalen-2-yloxolan-2-one is C=C1CC(c2ccc3ccccc3c2)OC1=O.
What is the InChIKey of 3-methylidene-5-naphthalen-2-yloxolan-2-one?
The InChIKey is QPGCZCPQGYMVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-8-14(17-15(10)16)13-7-6-11-4-2-3-5-12(11)9-13/h2-7,9,14H,1,8H2.
What are the key properties of 3-methylidene-5-naphthalen-2-yloxolan-2-one?
3-methylidene-5-naphthalen-2-yloxolan-2-one has a molecular weight of 224.26 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-naphthalen-2-yloxolan-2-one is sourced from PubChem (CID 15638841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).