6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one

C10H11NO2 — CID 91201490

IUPAC6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
SMILESCC1(C)C=Cc2[nH]c(=O)oc2C=C1
InChIInChI=1S/C10H11NO2/c1-10(2)5-3-7-8(4-6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12)
InChIKeyFOECYGNKRZBEDD-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.03
Rot. Bonds

About 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one

6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one (PubChem CID 91201490) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one.

Molecular Properties

Compound Name6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
PubChem CID91201490
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
SMILESCC1(C)C=Cc2[nH]c(=O)oc2C=C1
InChIInChI=1S/C10H11NO2/c1-10(2)5-3-7-8(4-6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12)
InChIKeyFOECYGNKRZBEDD-UHFFFAOYSA-N
XLogP2.03
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-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 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The IUPAC name of 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one (CID 91201490) is 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one.
What is the SMILES notation for 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The canonical SMILES for 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one is CC1(C)C=Cc2[nH]c(=O)oc2C=C1.
What is the InChIKey of 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The InChIKey is FOECYGNKRZBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)5-3-7-8(4-6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one is sourced from PubChem (CID 91201490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).