4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one

C7H11NO2 — CID 58655418

IUPAC4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one
SMILESCC(C)C1=NC(=O)OCC1
InChIInChI=1S/C7H11NO2/c1-5(2)6-3-4-10-7(9)8-6/h5H,3-4H2,1-2H3
InChIKeyKTTAYEKGTIQKFP-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.62
Rot. Bonds1

About 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one

4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one (PubChem CID 58655418) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one
PubChem CID58655418
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one
SMILESCC(C)C1=NC(=O)OCC1
InChIInChI=1S/C7H11NO2/c1-5(2)6-3-4-10-7(9)8-6/h5H,3-4H2,1-2H3
InChIKeyKTTAYEKGTIQKFP-UHFFFAOYSA-N
XLogP1.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-5,6-dihydro-1,3-oxazin-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

Related Compounds

4-propan-2-yl-5,6-dihydro-2H-1,3-oxazine
CID 22898647
ethyl N-ethoxycarbonyl-4-methylpentanimidate
CID 54173158
4-propan-2-yl-5H-1,3-oxazol-2-one
CID 58573671
4-Butan-2-yl-5-ethyl-5,6-dihydro-1,3-oxazin-2-one
CID 123494341
5-Ethyl-4-methyl-5,6-dihydro-1,3-oxazin-2-one
CID 123935432
6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one
CID 163824794
ethyl N-(3-methylbutan-2-ylidene)carbamate
CID 174249001

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one?
The IUPAC name of 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one (CID 58655418) is 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one.
What is the SMILES notation for 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one?
The canonical SMILES for 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one is CC(C)C1=NC(=O)OCC1.
What is the InChIKey of 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one?
The InChIKey is KTTAYEKGTIQKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(2)6-3-4-10-7(9)8-6/h5H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one?
4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6-dihydro-1,3-oxazin-2-one is sourced from PubChem (CID 58655418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).