(6E)-6-benzylidene-3-methyloxan-2-one

C13H14O2 — CID 139265388

IUPAC(6E)-6-benzylidene-3-methyloxan-2-one
SMILESCC1CC/C(=C\c2ccccc2)OC1=O
InChIInChI=1S/C13H14O2/c1-10-7-8-12(15-13(10)14)9-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3/b12-9+
InChIKeyYEUKTJVRFPQCHA-FMIVXFBMSA-N
MW202.25 g/mol
LogP3.00
Rot. Bonds1

About (6E)-6-benzylidene-3-methyloxan-2-one

(6E)-6-benzylidene-3-methyloxan-2-one (PubChem CID 139265388) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (6E)-6-benzylidene-3-methyloxan-2-one.

Molecular Properties

Compound Name(6E)-6-benzylidene-3-methyloxan-2-one
PubChem CID139265388
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(6E)-6-benzylidene-3-methyloxan-2-one
SMILESCC1CC/C(=C\c2ccccc2)OC1=O
InChIInChI=1S/C13H14O2/c1-10-7-8-12(15-13(10)14)9-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3/b12-9+
InChIKeyYEUKTJVRFPQCHA-FMIVXFBMSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6E)-6-benzylidene-3-methyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6Z)-6-benzylideneoxan-2-one
CID 101488172
6-methyl-3-oxabicyclo[3.2.0]hept-1(5)-ene-2,4-dione;styrene
CID 19796070
(2R,4E)-4-benzylidene-2-methyl-1,3-oxazolidin-5-one
CID 92857038
(2E,3R,5Z)-2,5-dibenzylidene-3-methylcyclopentan-1-one
CID 92523827
(3Z)-3-benzylidene-5-methylfuran-2-one
CID 121009416
2-benzylidene-5-(methoxymethyl)cyclohexan-1-one
CID 68642803
(3-methyl-2-nitrosocyclohexylidene)methylbenzene
CID 57234852
(3Z,5R)-3-benzylidene-5-methyl-1,4-dioxan-2-one
CID 134855366
(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
3-benzylidene-4-methyloxolane
CID 11725420
(2E)-2-benzylidene-1,3-oxazolidin-5-one
CID 70400530
cis-(2E,3S,4R)-2-benzylidene-3,4-dimethylcyclobutan-1-one
CID 134860997

Frequently Asked Questions

What is the IUPAC name of (6E)-6-benzylidene-3-methyloxan-2-one?
The IUPAC name of (6E)-6-benzylidene-3-methyloxan-2-one (CID 139265388) is (6E)-6-benzylidene-3-methyloxan-2-one.
What is the SMILES notation for (6E)-6-benzylidene-3-methyloxan-2-one?
The canonical SMILES for (6E)-6-benzylidene-3-methyloxan-2-one is CC1CC/C(=C\c2ccccc2)OC1=O.
What is the InChIKey of (6E)-6-benzylidene-3-methyloxan-2-one?
The InChIKey is YEUKTJVRFPQCHA-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H14O2/c1-10-7-8-12(15-13(10)14)9-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3/b12-9+.
What are the key properties of (6E)-6-benzylidene-3-methyloxan-2-one?
(6E)-6-benzylidene-3-methyloxan-2-one has a molecular weight of 202.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-benzylidene-3-methyloxan-2-one is sourced from PubChem (CID 139265388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).