4-methyliminooxolan-2-one

C5H7NO2 — CID 57316605

IUPAC4-methyliminooxolan-2-one
SMILESC/N=C1\COC(=O)C1
InChIInChI=1S/C5H7NO2/c1-6-4-2-5(7)8-3-4/h2-3H2,1H3/b6-4-
InChIKeyBRCJOTYFSDIITI-XQRVVYSFSA-N
MW113.12 g/mol
LogP0.00
Rot. Bonds

About 4-methyliminooxolan-2-one

4-methyliminooxolan-2-one (PubChem CID 57316605) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 4-methyliminooxolan-2-one.

Molecular Properties

Compound Name4-methyliminooxolan-2-one
PubChem CID57316605
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name4-methyliminooxolan-2-one
SMILESC/N=C1\COC(=O)C1
InChIInChI=1S/C5H7NO2/c1-6-4-2-5(7)8-3-4/h2-3H2,1H3/b6-4-
InChIKeyBRCJOTYFSDIITI-XQRVVYSFSA-N
XLogP0.00
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyliminooxolan-2-one?
The IUPAC name of 4-methyliminooxolan-2-one (CID 57316605) is 4-methyliminooxolan-2-one.
What is the SMILES notation for 4-methyliminooxolan-2-one?
The canonical SMILES for 4-methyliminooxolan-2-one is C/N=C1\COC(=O)C1.
What is the InChIKey of 4-methyliminooxolan-2-one?
The InChIKey is BRCJOTYFSDIITI-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H7NO2/c1-6-4-2-5(7)8-3-4/h2-3H2,1H3/b6-4-.
What are the key properties of 4-methyliminooxolan-2-one?
4-methyliminooxolan-2-one has a molecular weight of 113.12 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyliminooxolan-2-one is sourced from PubChem (CID 57316605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).