3-(tert-butyliminomethyl)oxolan-2-one

C9H15NO2 — CID 123936633

IUPAC3-(tert-butyliminomethyl)oxolan-2-one
SMILESCC(C)(C)/N=C/C1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)10-6-7-4-5-12-8(7)11/h6-7H,4-5H2,1-3H3/b10-6+
InChIKeyXOUJMBXJTNMULI-UXBLZVDNSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds1

About 3-(tert-butyliminomethyl)oxolan-2-one

3-(tert-butyliminomethyl)oxolan-2-one (PubChem CID 123936633) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(tert-butyliminomethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(tert-butyliminomethyl)oxolan-2-one
PubChem CID123936633
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(tert-butyliminomethyl)oxolan-2-one
SMILESCC(C)(C)/N=C/C1CCOC1=O
InChIInChI=1S/C9H15NO2/c1-9(2,3)10-6-7-4-5-12-8(7)11/h6-7H,4-5H2,1-3H3/b10-6+
InChIKeyXOUJMBXJTNMULI-UXBLZVDNSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
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

Ethyl 3-tert-butylimino-2-methylpropanoate
CID 57271207
3-(2-Methylpropyliminomethyl)oxolan-2-one
CID 91058260
Propyl 3-tert-butylimino-2-methylpropanoate
CID 91113758
4-(2-Methylpropylimino)oxolan-2-one
CID 91144067
3-(Butan-2-yliminomethyl)oxolan-2-one
CID 91191412
3-(Methyliminomethyl)oxolan-2-one
CID 91375779
3-(Ethyliminomethyl)oxolan-2-one
CID 123902192
Ethyl 3-methyl-2-(methyliminomethyl)butanoate
CID 149586221
propyl 3,4-dihydro-2H-pyrrole-4-carboxylate
CID 157068029

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butyliminomethyl)oxolan-2-one?
The IUPAC name of 3-(tert-butyliminomethyl)oxolan-2-one (CID 123936633) is 3-(tert-butyliminomethyl)oxolan-2-one.
What is the SMILES notation for 3-(tert-butyliminomethyl)oxolan-2-one?
The canonical SMILES for 3-(tert-butyliminomethyl)oxolan-2-one is CC(C)(C)/N=C/C1CCOC1=O.
What is the InChIKey of 3-(tert-butyliminomethyl)oxolan-2-one?
The InChIKey is XOUJMBXJTNMULI-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)10-6-7-4-5-12-8(7)11/h6-7H,4-5H2,1-3H3/b10-6+.
What are the key properties of 3-(tert-butyliminomethyl)oxolan-2-one?
3-(tert-butyliminomethyl)oxolan-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butyliminomethyl)oxolan-2-one is sourced from PubChem (CID 123936633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).