(3E)-3-(2-oxopropylidene)azetidin-2-one

C6H7NO2 — CID 6439342

IUPAC(3E)-3-(2-oxopropylidene)azetidin-2-one
SMILESCC(=O)/C=C1\CNC1=O
InChIInChI=1S/C6H7NO2/c1-4(8)2-5-3-7-6(5)9/h2H,3H2,1H3,(H,7,9)/b5-2+
InChIKeyJLDIHAVZJSLHST-GORDUTHDSA-N
MW125.13 g/mol
LogP-0.37
Rot. Bonds1

About (3E)-3-(2-oxopropylidene)azetidin-2-one

(3E)-3-(2-oxopropylidene)azetidin-2-one (PubChem CID 6439342) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is (3E)-3-(2-oxopropylidene)azetidin-2-one.

Molecular Properties

Compound Name(3E)-3-(2-oxopropylidene)azetidin-2-one
PubChem CID6439342
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name(3E)-3-(2-oxopropylidene)azetidin-2-one
SMILESCC(=O)/C=C1\CNC1=O
InChIInChI=1S/C6H7NO2/c1-4(8)2-5-3-7-6(5)9/h2H,3H2,1H3,(H,7,9)/b5-2+
InChIKeyJLDIHAVZJSLHST-GORDUTHDSA-N
XLogP-0.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-oxopropylidene)azetidin-2-one?
The IUPAC name of (3E)-3-(2-oxopropylidene)azetidin-2-one (CID 6439342) is (3E)-3-(2-oxopropylidene)azetidin-2-one.
What is the SMILES notation for (3E)-3-(2-oxopropylidene)azetidin-2-one?
The canonical SMILES for (3E)-3-(2-oxopropylidene)azetidin-2-one is CC(=O)/C=C1\CNC1=O.
What is the InChIKey of (3E)-3-(2-oxopropylidene)azetidin-2-one?
The InChIKey is JLDIHAVZJSLHST-GORDUTHDSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4(8)2-5-3-7-6(5)9/h2H,3H2,1H3,(H,7,9)/b5-2+.
What are the key properties of (3E)-3-(2-oxopropylidene)azetidin-2-one?
(3E)-3-(2-oxopropylidene)azetidin-2-one has a molecular weight of 125.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-oxopropylidene)azetidin-2-one is sourced from PubChem (CID 6439342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).