4-(2-methylpropylimino)oxolan-2-one

C8H13NO2 — CID 91144067

IUPAC4-(2-methylpropylimino)oxolan-2-one
SMILESCC(C)C/N=C1\COC(=O)C1
InChIInChI=1S/C8H13NO2/c1-6(2)4-9-7-3-8(10)11-5-7/h6H,3-5H2,1-2H3/b9-7-
InChIKeyQGKDVQWLKUZUJD-CLFYSBASSA-N
MW155.20 g/mol
LogP1.03
Rot. Bonds2

About 4-(2-methylpropylimino)oxolan-2-one

4-(2-methylpropylimino)oxolan-2-one (PubChem CID 91144067) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(2-methylpropylimino)oxolan-2-one.

Molecular Properties

Compound Name4-(2-methylpropylimino)oxolan-2-one
PubChem CID91144067
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-(2-methylpropylimino)oxolan-2-one
SMILESCC(C)C/N=C1\COC(=O)C1
InChIInChI=1S/C8H13NO2/c1-6(2)4-9-7-3-8(10)11-5-7/h6H,3-5H2,1-2H3/b9-7-
InChIKeyQGKDVQWLKUZUJD-CLFYSBASSA-N
XLogP1.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.03
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

2-Methyl-4-isopropyl-5-oxazolone
CID 129812755
4-(2-Fluoroethylimino)oxolan-2-one
CID 91395027
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Propyl 4-acetyloxy-3-ethyliminobutanoate
CID 53737713
Ethyl 3-ethyliminobutanoate
CID 53856161
Ethyl 3-(2-methylpropylimino)butanoate
CID 54534452
Ethyl 4-acetyloxy-3-methyliminobutanoate
CID 54557934
2,2-Dimethylpropyl 3-methyl-2-methyliminobutanoate
CID 57056842
4-Methyliminooxolan-2-one
CID 57316605
4-Butyliminooxolan-2-one
CID 90970183
4-Propyliminooxolan-2-one
CID 91052829
3-(2-Methylpropyliminomethyl)oxolan-2-one
CID 91058260

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylimino)oxolan-2-one?
The IUPAC name of 4-(2-methylpropylimino)oxolan-2-one (CID 91144067) is 4-(2-methylpropylimino)oxolan-2-one.
What is the SMILES notation for 4-(2-methylpropylimino)oxolan-2-one?
The canonical SMILES for 4-(2-methylpropylimino)oxolan-2-one is CC(C)C/N=C1\COC(=O)C1.
What is the InChIKey of 4-(2-methylpropylimino)oxolan-2-one?
The InChIKey is QGKDVQWLKUZUJD-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)4-9-7-3-8(10)11-5-7/h6H,3-5H2,1-2H3/b9-7-.
What are the key properties of 4-(2-methylpropylimino)oxolan-2-one?
4-(2-methylpropylimino)oxolan-2-one has a molecular weight of 155.20 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylimino)oxolan-2-one is sourced from PubChem (CID 91144067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).