7-methyl-6,7-dihydro-2,1-benzoxazole

C8H9NO — CID 167041929

IUPAC7-methyl-6,7-dihydro-2,1-benzoxazole
SMILESCC1CC=Cc2conc21
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2,4-6H,3H2,1H3
InChIKeyCAMBDFNWNRJRCY-UHFFFAOYSA-N
MW135.17 g/mol
LogP2.19
Rot. Bonds

About 7-methyl-6,7-dihydro-2,1-benzoxazole

7-methyl-6,7-dihydro-2,1-benzoxazole (PubChem CID 167041929) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-2,1-benzoxazole.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-2,1-benzoxazole
PubChem CID167041929
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name7-methyl-6,7-dihydro-2,1-benzoxazole
SMILESCC1CC=Cc2conc21
InChIInChI=1S/C8H9NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2,4-6H,3H2,1H3
InChIKeyCAMBDFNWNRJRCY-UHFFFAOYSA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6,7-dihydro-2,1-benzoxazole?
The IUPAC name of 7-methyl-6,7-dihydro-2,1-benzoxazole (CID 167041929) is 7-methyl-6,7-dihydro-2,1-benzoxazole.
What is the SMILES notation for 7-methyl-6,7-dihydro-2,1-benzoxazole?
The canonical SMILES for 7-methyl-6,7-dihydro-2,1-benzoxazole is CC1CC=Cc2conc21.
What is the InChIKey of 7-methyl-6,7-dihydro-2,1-benzoxazole?
The InChIKey is CAMBDFNWNRJRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-2-4-7-5-10-9-8(6)7/h2,4-6H,3H2,1H3.
What are the key properties of 7-methyl-6,7-dihydro-2,1-benzoxazole?
7-methyl-6,7-dihydro-2,1-benzoxazole has a molecular weight of 135.17 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6,7-dihydro-2,1-benzoxazole is sourced from PubChem (CID 167041929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).