4-amino-3,3-dimethyloxan-2-one

C7H13NO2 — CID 59657923

IUPAC4-amino-3,3-dimethyloxan-2-one
SMILESCC1(C)C(=O)OCCC1N
InChIInChI=1S/C7H13NO2/c1-7(2)5(8)3-4-10-6(7)9/h5H,3-4,8H2,1-2H3
InChIKeyCBPOKQDNCWLKJV-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds

About 4-amino-3,3-dimethyloxan-2-one

4-amino-3,3-dimethyloxan-2-one (PubChem CID 59657923) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-amino-3,3-dimethyloxan-2-one.

Molecular Properties

Compound Name4-amino-3,3-dimethyloxan-2-one
PubChem CID59657923
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-amino-3,3-dimethyloxan-2-one
SMILESCC1(C)C(=O)OCCC1N
InChIInChI=1S/C7H13NO2/c1-7(2)5(8)3-4-10-6(7)9/h5H,3-4,8H2,1-2H3
InChIKeyCBPOKQDNCWLKJV-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyloxan-2-one?
The IUPAC name of 4-amino-3,3-dimethyloxan-2-one (CID 59657923) is 4-amino-3,3-dimethyloxan-2-one.
What is the SMILES notation for 4-amino-3,3-dimethyloxan-2-one?
The canonical SMILES for 4-amino-3,3-dimethyloxan-2-one is CC1(C)C(=O)OCCC1N.
What is the InChIKey of 4-amino-3,3-dimethyloxan-2-one?
The InChIKey is CBPOKQDNCWLKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)5(8)3-4-10-6(7)9/h5H,3-4,8H2,1-2H3.
What are the key properties of 4-amino-3,3-dimethyloxan-2-one?
4-amino-3,3-dimethyloxan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyloxan-2-one is sourced from PubChem (CID 59657923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).