7-methyl-7H-cyclohepta[d][1,2]oxazole

C9H9NO — CID 123808995

IUPAC7-methyl-7H-cyclohepta[d][1,2]oxazole
SMILESCC1C=CC=c2cnoc2=C1
InChIInChI=1S/C9H9NO/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7H,1H3
InChIKeyVRGXDSSQGYHWQT-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.44
Rot. Bonds

About 7-methyl-7H-cyclohepta[d][1,2]oxazole

7-methyl-7H-cyclohepta[d][1,2]oxazole (PubChem CID 123808995) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 7-methyl-7H-cyclohepta[d][1,2]oxazole.

Molecular Properties

Compound Name7-methyl-7H-cyclohepta[d][1,2]oxazole
PubChem CID123808995
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name7-methyl-7H-cyclohepta[d][1,2]oxazole
SMILESCC1C=CC=c2cnoc2=C1
InChIInChI=1S/C9H9NO/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7H,1H3
InChIKeyVRGXDSSQGYHWQT-UHFFFAOYSA-N
XLogP0.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-7H-cyclohepta[d][1,2]oxazole?
The IUPAC name of 7-methyl-7H-cyclohepta[d][1,2]oxazole (CID 123808995) is 7-methyl-7H-cyclohepta[d][1,2]oxazole.
What is the SMILES notation for 7-methyl-7H-cyclohepta[d][1,2]oxazole?
The canonical SMILES for 7-methyl-7H-cyclohepta[d][1,2]oxazole is CC1C=CC=c2cnoc2=C1.
What is the InChIKey of 7-methyl-7H-cyclohepta[d][1,2]oxazole?
The InChIKey is VRGXDSSQGYHWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-7-3-2-4-8-6-10-11-9(8)5-7/h2-7H,1H3.
What are the key properties of 7-methyl-7H-cyclohepta[d][1,2]oxazole?
7-methyl-7H-cyclohepta[d][1,2]oxazole has a molecular weight of 147.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7H-cyclohepta[d][1,2]oxazole is sourced from PubChem (CID 123808995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).