6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole

C11H14N2O — CID 143608597

IUPAC6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole
SMILESCCC1(C)C=Cc2nonc2C(C)=C1
InChIInChI=1S/C11H14N2O/c1-4-11(3)6-5-9-10(8(2)7-11)13-14-12-9/h5-7H,4H2,1-3H3
InChIKeyWDTRHJHAEGRCRC-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.92
Rot. Bonds1

About 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole

6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole (PubChem CID 143608597) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole.

Molecular Properties

Compound Name6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole
PubChem CID143608597
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole
SMILESCCC1(C)C=Cc2nonc2C(C)=C1
InChIInChI=1S/C11H14N2O/c1-4-11(3)6-5-9-10(8(2)7-11)13-14-12-9/h5-7H,4H2,1-3H3
InChIKeyWDTRHJHAEGRCRC-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole?
The IUPAC name of 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole (CID 143608597) is 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole.
What is the SMILES notation for 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole?
The canonical SMILES for 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole is CCC1(C)C=Cc2nonc2C(C)=C1.
What is the InChIKey of 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole?
The InChIKey is WDTRHJHAEGRCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-11(3)6-5-9-10(8(2)7-11)13-14-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole?
6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole has a molecular weight of 190.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,6-dimethylcyclohepta[c][1,2,5]oxadiazole is sourced from PubChem (CID 143608597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).