4-imino-5,5-dimethyloxolan-2-one

C6H9NO2 — CID 57217758

IUPAC4-imino-5,5-dimethyloxolan-2-one
SMILES[H]/N=C1\CC(=O)OC1(C)C
InChIInChI=1S/C6H9NO2/c1-6(2)4(7)3-5(8)9-6/h7H,3H2,1-2H3/b7-4+
InChIKeyQXSGBXCRCIUVQG-QPJJXVBHSA-N
MW127.14 g/mol
LogP0.73
Rot. Bonds

About 4-imino-5,5-dimethyloxolan-2-one

4-imino-5,5-dimethyloxolan-2-one (PubChem CID 57217758) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-imino-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name4-imino-5,5-dimethyloxolan-2-one
PubChem CID57217758
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-imino-5,5-dimethyloxolan-2-one
SMILES[H]/N=C1\CC(=O)OC1(C)C
InChIInChI=1S/C6H9NO2/c1-6(2)4(7)3-5(8)9-6/h7H,3H2,1-2H3/b7-4+
InChIKeyQXSGBXCRCIUVQG-QPJJXVBHSA-N
XLogP0.73
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
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-imino-5,5-dimethyloxolan-2-one?
The IUPAC name of 4-imino-5,5-dimethyloxolan-2-one (CID 57217758) is 4-imino-5,5-dimethyloxolan-2-one.
What is the SMILES notation for 4-imino-5,5-dimethyloxolan-2-one?
The canonical SMILES for 4-imino-5,5-dimethyloxolan-2-one is [H]/N=C1\CC(=O)OC1(C)C.
What is the InChIKey of 4-imino-5,5-dimethyloxolan-2-one?
The InChIKey is QXSGBXCRCIUVQG-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(2)4(7)3-5(8)9-6/h7H,3H2,1-2H3/b7-4+.
What are the key properties of 4-imino-5,5-dimethyloxolan-2-one?
4-imino-5,5-dimethyloxolan-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 57217758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).