7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole

C9H11NO — CID 143046437

IUPAC7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole
SMILESCC1C=c2ocnc2=CCC1
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-9(5-7)11-6-10-8/h4-7H,2-3H2,1H3
InChIKeyVUCRJXIOSOLTBF-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.67
Rot. Bonds

About 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole

7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole (PubChem CID 143046437) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole
PubChem CID143046437
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole
SMILESCC1C=c2ocnc2=CCC1
InChIInChI=1S/C9H11NO/c1-7-3-2-4-8-9(5-7)11-6-10-8/h4-7H,2-3H2,1H3
InChIKeyVUCRJXIOSOLTBF-UHFFFAOYSA-N
XLogP0.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.67
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-5H-cyclohepta[d][1,3]oxazole?
The IUPAC name of 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole (CID 143046437) is 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole.
What is the SMILES notation for 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole?
The canonical SMILES for 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole is CC1C=c2ocnc2=CCC1.
What is the InChIKey of 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole?
The InChIKey is VUCRJXIOSOLTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-3-2-4-8-9(5-7)11-6-10-8/h4-7H,2-3H2,1H3.
What are the key properties of 7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole?
7-methyl-6,7-dihydro-5H-cyclohepta[d][1,3]oxazole has a molecular weight of 149.19 g/mol, XLogP of 0.67, 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-5H-cyclohepta[d][1,3]oxazole is sourced from PubChem (CID 143046437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).