2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one

C12H10O2 — CID 132501821

IUPAC2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
SMILESO=C1C=CCC12OC2c1ccccc1
InChIInChI=1S/C12H10O2/c13-10-7-4-8-12(10)11(14-12)9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyNRKVCPZGDOHGTK-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.03
Rot. Bonds1

About 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one

2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one (PubChem CID 132501821) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one.

Molecular Properties

Compound Name2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
PubChem CID132501821
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one
SMILESO=C1C=CCC12OC2c1ccccc1
InChIInChI=1S/C12H10O2/c13-10-7-4-8-12(10)11(14-12)9-5-2-1-3-6-9/h1-7,11H,8H2
InChIKeyNRKVCPZGDOHGTK-UHFFFAOYSA-N
XLogP2.03
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
(3S,3'S)-3'-phenylspiro[2H-thiochromene-3,2'-oxirane]-4-one
CID 92860308
3,3-dimethyl-2-phenyl-2H-pyran-4-one
CID 132511833
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(3R)-3-phenyl-2,2-bis(trifluoromethyl)oxirane
CID 101101880
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
3,3-dichloro-4-phenyloxetan-2-one
CID 12622625
7-methoxy-3'-phenylspiro[2H-chromene-3,2'-oxirane]-4-one
CID 3044476
(2R)-2-phenyl-1-oxa-4λ4,8λ4-dithiaspiro[2.5]octane 4,8-dioxide
CID 10706239
(2R,3R)-2,3-diphenyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 10063606
1-(2-acetyl-3-phenyloxiran-2-yl)ethanone
CID 75183920

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one?
The IUPAC name of 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one (CID 132501821) is 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one.
What is the SMILES notation for 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one?
The canonical SMILES for 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one is O=C1C=CCC12OC2c1ccccc1.
What is the InChIKey of 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one?
The InChIKey is NRKVCPZGDOHGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c13-10-7-4-8-12(10)11(14-12)9-5-2-1-3-6-9/h1-7,11H,8H2.
What are the key properties of 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one?
2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one has a molecular weight of 186.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-oxaspiro[2.4]hept-5-en-4-one is sourced from PubChem (CID 132501821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).