4-cyclopropyliminooxolan-2-one

C7H9NO2 — CID 91233183

IUPAC4-cyclopropyliminooxolan-2-one
SMILESO=C1C/C(=N/C2CC2)CO1
InChIInChI=1S/C7H9NO2/c9-7-3-6(4-10-7)8-5-1-2-5/h5H,1-4H2/b8-6-
InChIKeyYJGAKTSRDHMSIY-VURMDHGXSA-N
MW139.15 g/mol
LogP0.54
Rot. Bonds1

About 4-cyclopropyliminooxolan-2-one

4-cyclopropyliminooxolan-2-one (PubChem CID 91233183) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-cyclopropyliminooxolan-2-one.

Molecular Properties

Compound Name4-cyclopropyliminooxolan-2-one
PubChem CID91233183
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-cyclopropyliminooxolan-2-one
SMILESO=C1C/C(=N/C2CC2)CO1
InChIInChI=1S/C7H9NO2/c9-7-3-6(4-10-7)8-5-1-2-5/h5H,1-4H2/b8-6-
InChIKeyYJGAKTSRDHMSIY-VURMDHGXSA-N
XLogP0.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-Fluoroethylimino)oxolan-2-one
CID 91395027
4-Methyliminooxolan-2-one
CID 57316605
Ethyl 3-cyclopropyliminobutanoate
CID 90894658
4-Butyliminooxolan-2-one
CID 90970183
4-Propyliminooxolan-2-one
CID 91052829
4-(2-Methylpropylimino)oxolan-2-one
CID 91144067
4-Ethyliminooxolan-2-one
CID 91255105
3-Methyliminooxolan-2-one
CID 140357637
Ethyl 2-methyl-2H-azirene-3-carboxylate
CID 12803928
ethyl (2R)-2-methyl-2H-azirine-3-carboxylate
CID 129404685
ethyl (2S)-2-methyl-2H-azirine-3-carboxylate
CID 129404686

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyliminooxolan-2-one?
The IUPAC name of 4-cyclopropyliminooxolan-2-one (CID 91233183) is 4-cyclopropyliminooxolan-2-one.
What is the SMILES notation for 4-cyclopropyliminooxolan-2-one?
The canonical SMILES for 4-cyclopropyliminooxolan-2-one is O=C1C/C(=N/C2CC2)CO1.
What is the InChIKey of 4-cyclopropyliminooxolan-2-one?
The InChIKey is YJGAKTSRDHMSIY-VURMDHGXSA-N. The full InChI is InChI=1S/C7H9NO2/c9-7-3-6(4-10-7)8-5-1-2-5/h5H,1-4H2/b8-6-.
What are the key properties of 4-cyclopropyliminooxolan-2-one?
4-cyclopropyliminooxolan-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyliminooxolan-2-one is sourced from PubChem (CID 91233183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).