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

C7H10N2O2 — CID 163824794

IUPAC6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one
SMILES[H]/N=C1/CC(C(C)C)=NC(=O)O1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-6(8)11-7(10)9-5/h4,8H,3H2,1-2H3/b8-6-
InChIKeyNYNNMMGJWCRPHB-VURMDHGXSA-N
MW154.17 g/mol
LogP1.60
Rot. Bonds1

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

6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one (PubChem CID 163824794) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one.

Molecular Properties

Compound Name6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one
PubChem CID163824794
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one
SMILES[H]/N=C1/CC(C(C)C)=NC(=O)O1
InChIInChI=1S/C7H10N2O2/c1-4(2)5-3-6(8)11-7(10)9-5/h4,8H,3H2,1-2H3/b8-6-
InChIKeyNYNNMMGJWCRPHB-VURMDHGXSA-N
XLogP1.60
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-imino-4-propan-2-yl-5H-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

Frequently Asked Questions

What is the IUPAC name of 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one?
The IUPAC name of 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one (CID 163824794) is 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one.
What is the SMILES notation for 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one?
The canonical SMILES for 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one is [H]/N=C1/CC(C(C)C)=NC(=O)O1.
What is the InChIKey of 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one?
The InChIKey is NYNNMMGJWCRPHB-VURMDHGXSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4(2)5-3-6(8)11-7(10)9-5/h4,8H,3H2,1-2H3/b8-6-.
What are the key properties of 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one?
6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one has a molecular weight of 154.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-4-propan-2-yl-5H-1,3-oxazin-2-one is sourced from PubChem (CID 163824794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).