(4Z)-4-ethylideneoxetan-2-one

C5H6O2 — CID 15131331

IUPAC(4Z)-4-ethylideneoxetan-2-one
SMILESC/C=C1/CC(=O)O1
InChIInChI=1S/C5H6O2/c1-2-4-3-5(6)7-4/h2H,3H2,1H3/b4-2-
InChIKeyAIDNHFYXJKEJKR-RQOWECAXSA-N
MW98.10 g/mol
LogP0.84
Rot. Bonds

About (4Z)-4-ethylideneoxetan-2-one

(4Z)-4-ethylideneoxetan-2-one (PubChem CID 15131331) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (4Z)-4-ethylideneoxetan-2-one.

Molecular Properties

Compound Name(4Z)-4-ethylideneoxetan-2-one
PubChem CID15131331
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(4Z)-4-ethylideneoxetan-2-one
SMILESC/C=C1/CC(=O)O1
InChIInChI=1S/C5H6O2/c1-2-4-3-5(6)7-4/h2H,3H2,1H3/b4-2-
InChIKeyAIDNHFYXJKEJKR-RQOWECAXSA-N
XLogP0.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-ethylidene-3-methyl-2-oxetanone
CID 18720715
(3R,4Z)-4-ethylidene-3-methyloxetan-2-one
CID 11205729
(3S,4Z)-4-ethylidene-3-methyloxetan-2-one
CID 11240452
Methyl 3-methoxy-3-pentenoate
CID 129777705
(3R,4E)-4-ethylidene-3-methyloxetan-2-one
CID 134893121
(4Z)-4-ethylidene-3-methyloxetan-2-one
CID 12466067
4-Propan-2-ylideneoxetan-2-one
CID 19907510
4-Ethylideneoxetan-2-one
CID 53644187
4-Ethylidene-3-methyloxetan-2-one
CID 53729313
4-(3-Oxobutylidene)oxetan-2-one
CID 53736291
4-Prop-2-enylideneoxetan-2-one
CID 88189267
4-Ethylidene-3-methyloxetan-2-one;methane
CID 162190028

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylideneoxetan-2-one?
The IUPAC name of (4Z)-4-ethylideneoxetan-2-one (CID 15131331) is (4Z)-4-ethylideneoxetan-2-one.
What is the SMILES notation for (4Z)-4-ethylideneoxetan-2-one?
The canonical SMILES for (4Z)-4-ethylideneoxetan-2-one is C/C=C1/CC(=O)O1.
What is the InChIKey of (4Z)-4-ethylideneoxetan-2-one?
The InChIKey is AIDNHFYXJKEJKR-RQOWECAXSA-N. The full InChI is InChI=1S/C5H6O2/c1-2-4-3-5(6)7-4/h2H,3H2,1H3/b4-2-.
What are the key properties of (4Z)-4-ethylideneoxetan-2-one?
(4Z)-4-ethylideneoxetan-2-one has a molecular weight of 98.10 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylideneoxetan-2-one is sourced from PubChem (CID 15131331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).