4-buta-1,3-dien-2-yloxyazetidin-2-one

C7H9NO2 — CID 55303808

IUPAC4-buta-1,3-dien-2-yloxyazetidin-2-one
SMILESC=CC(=C)OC1CC(=O)N1
InChIInChI=1S/C7H9NO2/c1-3-5(2)10-7-4-6(9)8-7/h3,7H,1-2,4H2,(H,8,9)
InChIKeyZNEGFGTYBIKIRQ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.55
Rot. Bonds3

About 4-buta-1,3-dien-2-yloxyazetidin-2-one

4-buta-1,3-dien-2-yloxyazetidin-2-one (PubChem CID 55303808) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yloxyazetidin-2-one.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yloxyazetidin-2-one
PubChem CID55303808
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-buta-1,3-dien-2-yloxyazetidin-2-one
SMILESC=CC(=C)OC1CC(=O)N1
InChIInChI=1S/C7H9NO2/c1-3-5(2)10-7-4-6(9)8-7/h3,7H,1-2,4H2,(H,8,9)
InChIKeyZNEGFGTYBIKIRQ-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

buta-1,3-dien-2-yloxycyclohexane
CID 142221806
5-ethenyl-4-methylpyrrolidin-2-one
CID 141070744
3-buta-1,3-dien-2-ylpiperidine-2,6-dione
CID 177016784
N-[3-(4-oxoazetidin-2-yl)oxyphenyl]prop-2-enamide
CID 167841322
(4R)-4-(1-aminoethenoxymethyl)azetidin-2-one
CID 174305211
4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
CID 123215135
methyl 2-(4-oxoazetidin-2-yl)prop-2-enoate
CID 54242432
tert-butyl N-(4-buta-1,3-dien-2-yloxycyclohexyl)carbamate
CID 163587025
3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one
CID 144994439
ethane;5-methoxypyrrolidin-2-one
CID 145305312
CID 159294157
CID 159294157
4-phenoxyazetidin-2-one
CID 14054149

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yloxyazetidin-2-one?
The IUPAC name of 4-buta-1,3-dien-2-yloxyazetidin-2-one (CID 55303808) is 4-buta-1,3-dien-2-yloxyazetidin-2-one.
What is the SMILES notation for 4-buta-1,3-dien-2-yloxyazetidin-2-one?
The canonical SMILES for 4-buta-1,3-dien-2-yloxyazetidin-2-one is C=CC(=C)OC1CC(=O)N1.
What is the InChIKey of 4-buta-1,3-dien-2-yloxyazetidin-2-one?
The InChIKey is ZNEGFGTYBIKIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-3-5(2)10-7-4-6(9)8-7/h3,7H,1-2,4H2,(H,8,9).
What are the key properties of 4-buta-1,3-dien-2-yloxyazetidin-2-one?
4-buta-1,3-dien-2-yloxyazetidin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yloxyazetidin-2-one is sourced from PubChem (CID 55303808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).