8,8-dimethylcyclohepta[b]pyridine

C12H13N — CID 88973533

IUPAC8,8-dimethylcyclohepta[b]pyridine
SMILESCC1(C)C=CC=c2cccnc2=C1
InChIInChI=1S/C12H13N/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12/h3-9H,1-2H3
InChIKeyASFMVRQOCIAHJR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds

About 8,8-dimethylcyclohepta[b]pyridine

8,8-dimethylcyclohepta[b]pyridine (PubChem CID 88973533) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 8,8-dimethylcyclohepta[b]pyridine.

Molecular Properties

Compound Name8,8-dimethylcyclohepta[b]pyridine
PubChem CID88973533
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name8,8-dimethylcyclohepta[b]pyridine
SMILESCC1(C)C=CC=c2cccnc2=C1
InChIInChI=1S/C12H13N/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12/h3-9H,1-2H3
InChIKeyASFMVRQOCIAHJR-UHFFFAOYSA-N
XLogP1.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylcyclohepta[b]pyridine?
The IUPAC name of 8,8-dimethylcyclohepta[b]pyridine (CID 88973533) is 8,8-dimethylcyclohepta[b]pyridine.
What is the SMILES notation for 8,8-dimethylcyclohepta[b]pyridine?
The canonical SMILES for 8,8-dimethylcyclohepta[b]pyridine is CC1(C)C=CC=c2cccnc2=C1.
What is the InChIKey of 8,8-dimethylcyclohepta[b]pyridine?
The InChIKey is ASFMVRQOCIAHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-12(2)7-3-5-10-6-4-8-13-11(10)9-12/h3-9H,1-2H3.
What are the key properties of 8,8-dimethylcyclohepta[b]pyridine?
8,8-dimethylcyclohepta[b]pyridine has a molecular weight of 171.24 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylcyclohepta[b]pyridine is sourced from PubChem (CID 88973533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).