7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole

C9H13NO — CID 24971545

IUPAC7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole
SMILESCC1(C)CCCc2cnoc21
InChIInChI=1S/C9H13NO/c1-9(2)5-3-4-7-6-10-11-8(7)9/h6H,3-5H2,1-2H3
InChIKeySQHZPFRLLPDWNC-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.29
Rot. Bonds

About 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole

7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole (PubChem CID 24971545) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole.

Molecular Properties

Compound Name7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole
PubChem CID24971545
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole
SMILESCC1(C)CCCc2cnoc21
InChIInChI=1S/C9H13NO/c1-9(2)5-3-4-7-6-10-11-8(7)9/h6H,3-5H2,1-2H3
InChIKeySQHZPFRLLPDWNC-UHFFFAOYSA-N
XLogP2.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole 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 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole?
The IUPAC name of 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole (CID 24971545) is 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole.
What is the SMILES notation for 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole?
The canonical SMILES for 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole is CC1(C)CCCc2cnoc21.
What is the InChIKey of 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole?
The InChIKey is SQHZPFRLLPDWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-9(2)5-3-4-7-6-10-11-8(7)9/h6H,3-5H2,1-2H3.
What are the key properties of 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole?
7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole has a molecular weight of 151.21 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5,6-dihydro-4H-1,2-benzoxazole is sourced from PubChem (CID 24971545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).