2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene

C12H15NO — CID 143975792

IUPAC2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene
SMILESC=C.Cc1nc2c(o1)C=CC(C)C=C2
InChIInChI=1S/C10H11NO.C2H4/c1-7-3-5-9-10(6-4-7)12-8(2)11-9;1-2/h3-7H,1-2H3;1-2H2
InChIKeyHOKQBTZGQNHYFG-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.46
Rot. Bonds

About 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene

2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene (PubChem CID 143975792) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene.

Molecular Properties

Compound Name2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene
PubChem CID143975792
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene
SMILESC=C.Cc1nc2c(o1)C=CC(C)C=C2
InChIInChI=1S/C10H11NO.C2H4/c1-7-3-5-9-10(6-4-7)12-8(2)11-9;1-2/h3-7H,1-2H3;1-2H2
InChIKeyHOKQBTZGQNHYFG-UHFFFAOYSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene?
The IUPAC name of 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene (CID 143975792) is 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene.
What is the SMILES notation for 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene?
The canonical SMILES for 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene is C=C.Cc1nc2c(o1)C=CC(C)C=C2.
What is the InChIKey of 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene?
The InChIKey is HOKQBTZGQNHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H4/c1-7-3-5-9-10(6-4-7)12-8(2)11-9;1-2/h3-7H,1-2H3;1-2H2.
What are the key properties of 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene?
2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene has a molecular weight of 189.26 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6H-cyclohepta[d][1,3]oxazole;ethene is sourced from PubChem (CID 143975792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).