4-(2-methylpropyl)-1,3-oxazinan-2-one

C8H15NO2 — CID 131991507

IUPAC4-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)CC1CCOC(=O)N1
InChIInChI=1S/C8H15NO2/c1-6(2)5-7-3-4-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyBJASJNHBQZZWDZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds2

About 4-(2-methylpropyl)-1,3-oxazinan-2-one

4-(2-methylpropyl)-1,3-oxazinan-2-one (PubChem CID 131991507) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,3-oxazinan-2-one
PubChem CID131991507
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(2-methylpropyl)-1,3-oxazinan-2-one
SMILESCC(C)CC1CCOC(=O)N1
InChIInChI=1S/C8H15NO2/c1-6(2)5-7-3-4-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)
InChIKeyBJASJNHBQZZWDZ-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-methylpropyl)-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(2-methylpropyl)-1,3-oxazinan-2-one (CID 131991507) is 4-(2-methylpropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(2-methylpropyl)-1,3-oxazinan-2-one is CC(C)CC1CCOC(=O)N1.
What is the InChIKey of 4-(2-methylpropyl)-1,3-oxazinan-2-one?
The InChIKey is BJASJNHBQZZWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)5-7-3-4-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(2-methylpropyl)-1,3-oxazinan-2-one?
4-(2-methylpropyl)-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 131991507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).