(3E)-3-(1-phenylpropylidene)oxolan-2-one

C13H14O2 — CID 101088461

IUPAC(3E)-3-(1-phenylpropylidene)oxolan-2-one
SMILESCC/C(=C1/CCOC1=O)c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-15-13(12)14/h3-7H,2,8-9H2,1H3/b12-11+
InChIKeyPRNXKAOKQVXNMG-VAWYXSNFSA-N
MW202.25 g/mol
LogP2.80
Rot. Bonds2

About (3E)-3-(1-phenylpropylidene)oxolan-2-one

(3E)-3-(1-phenylpropylidene)oxolan-2-one (PubChem CID 101088461) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3E)-3-(1-phenylpropylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(1-phenylpropylidene)oxolan-2-one
PubChem CID101088461
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(3E)-3-(1-phenylpropylidene)oxolan-2-one
SMILESCC/C(=C1/CCOC1=O)c1ccccc1
InChIInChI=1S/C13H14O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-15-13(12)14/h3-7H,2,8-9H2,1H3/b12-11+
InChIKeyPRNXKAOKQVXNMG-VAWYXSNFSA-N
XLogP2.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.80
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

3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
CID 71424672
(3E)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6038810
(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6380723
(3Z)-3-[(Z)-4-phenylbut-3-en-2-ylidene]oxolan-2-one
CID 23650727
2-methyl-2-[[(3E)-3-(1-phenylpropylidene)oxetan-2-ylidene]amino]propan-1-ol
CID 11357400
(3E)-3-[1-(2-methylanilino)ethylidene]oxolan-2-one
CID 2815995
bis((1E)-1-(2-oxooxolan-3-ylidene)ethanolate);bis(tetrabutylazanium)
CID 139057777
(2Z)-2-(1-phenylpropylidene)cyclopentan-1-ol
CID 101066581
2-(1-phenylnonylidene)cyclopentan-1-one
CID 71428415
(2E)-2-(2,3-dihydrochromen-4-ylidene)propanoic acid
CID 131557201
1-(2-oxooxolan-3-ylidene)ethylurea
CID 581538
1-phenyl(111C)propan-1-one
CID 11159350

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(1-phenylpropylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(1-phenylpropylidene)oxolan-2-one (CID 101088461) is (3E)-3-(1-phenylpropylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(1-phenylpropylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(1-phenylpropylidene)oxolan-2-one is CC/C(=C1/CCOC1=O)c1ccccc1.
What is the InChIKey of (3E)-3-(1-phenylpropylidene)oxolan-2-one?
The InChIKey is PRNXKAOKQVXNMG-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-11(10-6-4-3-5-7-10)12-8-9-15-13(12)14/h3-7H,2,8-9H2,1H3/b12-11+.
What are the key properties of (3E)-3-(1-phenylpropylidene)oxolan-2-one?
(3E)-3-(1-phenylpropylidene)oxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(1-phenylpropylidene)oxolan-2-one is sourced from PubChem (CID 101088461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).