6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole

C10H13NO — CID 126516952

IUPAC6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
SMILESCC1(C)C=CC2=C(C=C1)OCN2
InChIInChI=1S/C10H13NO/c1-10(2)5-3-8-9(4-6-10)12-7-11-8/h3-6,11H,7H2,1-2H3
InChIKeyXXQRKPKEVUDMDP-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.93
Rot. Bonds

About 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole

6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole (PubChem CID 126516952) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole.

Molecular Properties

Compound Name6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
PubChem CID126516952
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole
SMILESCC1(C)C=CC2=C(C=C1)OCN2
InChIInChI=1S/C10H13NO/c1-10(2)5-3-8-9(4-6-10)12-7-11-8/h3-6,11H,7H2,1-2H3
InChIKeyXXQRKPKEVUDMDP-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The IUPAC name of 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole (CID 126516952) is 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole.
What is the SMILES notation for 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The canonical SMILES for 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole is CC1(C)C=CC2=C(C=C1)OCN2.
What is the InChIKey of 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
The InChIKey is XXQRKPKEVUDMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)5-3-8-9(4-6-10)12-7-11-8/h3-6,11H,7H2,1-2H3.
What are the key properties of 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole?
6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole has a molecular weight of 163.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2,3-dihydrocyclohepta[d][1,3]oxazole is sourced from PubChem (CID 126516952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).