6-ethyl-6-methylcyclohepta[d][1,3]oxazole

C11H13NO — CID 91022016

IUPAC6-ethyl-6-methylcyclohepta[d][1,3]oxazole
SMILESCCC1(C)C=Cc2ncoc2C=C1
InChIInChI=1S/C11H13NO/c1-3-11(2)6-4-9-10(5-7-11)13-8-12-9/h4-8H,3H2,1-2H3
InChIKeyWMRSVUCRJXNXCR-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.13
Rot. Bonds1

About 6-ethyl-6-methylcyclohepta[d][1,3]oxazole

6-ethyl-6-methylcyclohepta[d][1,3]oxazole (PubChem CID 91022016) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-ethyl-6-methylcyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6-ethyl-6-methylcyclohepta[d][1,3]oxazole
PubChem CID91022016
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name6-ethyl-6-methylcyclohepta[d][1,3]oxazole
SMILESCCC1(C)C=Cc2ncoc2C=C1
InChIInChI=1S/C11H13NO/c1-3-11(2)6-4-9-10(5-7-11)13-8-12-9/h4-8H,3H2,1-2H3
InChIKeyWMRSVUCRJXNXCR-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methylcyclohepta[d][1,3]oxazole?
The IUPAC name of 6-ethyl-6-methylcyclohepta[d][1,3]oxazole (CID 91022016) is 6-ethyl-6-methylcyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6-ethyl-6-methylcyclohepta[d][1,3]oxazole?
The canonical SMILES for 6-ethyl-6-methylcyclohepta[d][1,3]oxazole is CCC1(C)C=Cc2ncoc2C=C1.
What is the InChIKey of 6-ethyl-6-methylcyclohepta[d][1,3]oxazole?
The InChIKey is WMRSVUCRJXNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(2)6-4-9-10(5-7-11)13-8-12-9/h4-8H,3H2,1-2H3.
What are the key properties of 6-ethyl-6-methylcyclohepta[d][1,3]oxazole?
6-ethyl-6-methylcyclohepta[d][1,3]oxazole has a molecular weight of 175.23 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methylcyclohepta[d][1,3]oxazole is sourced from PubChem (CID 91022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).