(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one

C15H12O2 — CID 102168852

IUPAC(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
SMILESC=C1C[C@@H](c2cccc3ccccc23)OC1=O
InChIInChI=1S/C15H12O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,1,9H2/t14-/m0/s1
InChIKeyOKQCKEQAGLSRAF-AWEZNQCLSA-N
MW224.26 g/mol
LogP3.38
Rot. Bonds1

About (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one

(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one (PubChem CID 102168852) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one.

Molecular Properties

Compound Name(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
PubChem CID102168852
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name(5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one
SMILESC=C1C[C@@H](c2cccc3ccccc23)OC1=O
InChIInChI=1S/C15H12O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,1,9H2/t14-/m0/s1
InChIKeyOKQCKEQAGLSRAF-AWEZNQCLSA-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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Related Compounds

5-(4-bromonaphthalen-1-yl)-3-methylideneoxolan-2-one
CID 168869944
3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
2-naphthalen-1-yl-2,3-dihydrochromen-4-one
CID 12753196
5-naphthalen-1-yl-1,3-oxazolidin-2-one
CID 13152451
(4R,5S)-3-methylidene-4-naphthalen-1-yl-5-phenyloxolan-2-one
CID 162213218
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
3-naphthalen-1-yloxetan-2-one
CID 154509652
3-methylidene-5-(3-phenoxyphenyl)oxolan-2-one
CID 10754217
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709441
(4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945921
(4R)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 104946162

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one?
The IUPAC name of (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one (CID 102168852) is (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one.
What is the SMILES notation for (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one?
The canonical SMILES for (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one is C=C1C[C@@H](c2cccc3ccccc23)OC1=O.
What is the InChIKey of (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one?
The InChIKey is OKQCKEQAGLSRAF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12O2/c1-10-9-14(17-15(10)16)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,14H,1,9H2/t14-/m0/s1.
What are the key properties of (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one?
(5S)-3-methylidene-5-naphthalen-1-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 (5S)-3-methylidene-5-naphthalen-1-yloxolan-2-one is sourced from PubChem (CID 102168852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).