7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one

C10H11NO2 — CID 143776291

IUPAC7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
SMILESCC1(C)C=CC=c2[nH]c(=O)oc2=C1
InChIInChI=1S/C10H11NO2/c1-10(2)5-3-4-7-8(6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12)
InChIKeyOFNORFCVDYKYSN-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.12
Rot. Bonds

About 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one

7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one (PubChem CID 143776291) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one.

Molecular Properties

Compound Name7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
PubChem CID143776291
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
SMILESCC1(C)C=CC=c2[nH]c(=O)oc2=C1
InChIInChI=1S/C10H11NO2/c1-10(2)5-3-4-7-8(6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12)
InChIKeyOFNORFCVDYKYSN-UHFFFAOYSA-N
XLogP0.12
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 ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7,7-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

Related Compounds

4-Methylene-5-propylidene-2-oxazolidinone
CID 129708942
6-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 68030197
(4E,5E)-5-[(E)-4,4-dimethylpent-2-enylidene]-4-ethylidene-1,3-oxazolidin-2-one
CID 71012702
(5R)-5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 89024034
5-methyl-5,6-dihydro-3H-1,3-benzoxazol-2-one
CID 89029209
6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 91201490
5-Ethylidene-4-propylidene-1,3-oxazolidin-2-one
CID 123289178
(4E,5E)-5-ethylidene-4-[(Z)-2-methylbut-2-enylidene]-1,3-oxazolidin-2-one
CID 135202415
5,5-Dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
CID 138722222
7-Ethynyl-3,5-dihydrocyclohepta[d][1,3]oxazol-2-one
CID 141988285
3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane
CID 142205394
(Z)-3-(2-oxo-3,5-dihydrocyclohepta[d][1,3]oxazol-7-yl)prop-2-enenitrile
CID 142272085

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The IUPAC name of 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one (CID 143776291) is 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one.
What is the SMILES notation for 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The canonical SMILES for 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one is CC1(C)C=CC=c2[nH]c(=O)oc2=C1.
What is the InChIKey of 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
The InChIKey is OFNORFCVDYKYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-10(2)5-3-4-7-8(6-10)13-9(12)11-7/h3-6H,1-2H3,(H,11,12).
What are the key properties of 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one?
7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one is sourced from PubChem (CID 143776291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).