8-propan-2-ylcyclohepta[b]pyridine

C13H13N — CID 123317223

IUPAC8-propan-2-ylcyclohepta[b]pyridine
SMILESCC(C)C1=CC=C=c2cccnc2=C1
InChIInChI=1S/C13H13N/c1-10(2)12-6-3-5-11-7-4-8-14-13(11)9-12/h3-4,6-10H,1-2H3
InChIKeyKOLHGBMOMKJZCS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds1

About 8-propan-2-ylcyclohepta[b]pyridine

8-propan-2-ylcyclohepta[b]pyridine (PubChem CID 123317223) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-propan-2-ylcyclohepta[b]pyridine.

Molecular Properties

Compound Name8-propan-2-ylcyclohepta[b]pyridine
PubChem CID123317223
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name8-propan-2-ylcyclohepta[b]pyridine
SMILESCC(C)C1=CC=C=c2cccnc2=C1
InChIInChI=1S/C13H13N/c1-10(2)12-6-3-5-11-7-4-8-14-13(11)9-12/h3-4,6-10H,1-2H3
InChIKeyKOLHGBMOMKJZCS-UHFFFAOYSA-N
XLogP1.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-ylcyclohepta[b]pyridine?
The IUPAC name of 8-propan-2-ylcyclohepta[b]pyridine (CID 123317223) is 8-propan-2-ylcyclohepta[b]pyridine.
What is the SMILES notation for 8-propan-2-ylcyclohepta[b]pyridine?
The canonical SMILES for 8-propan-2-ylcyclohepta[b]pyridine is CC(C)C1=CC=C=c2cccnc2=C1.
What is the InChIKey of 8-propan-2-ylcyclohepta[b]pyridine?
The InChIKey is KOLHGBMOMKJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-10(2)12-6-3-5-11-7-4-8-14-13(11)9-12/h3-4,6-10H,1-2H3.
What are the key properties of 8-propan-2-ylcyclohepta[b]pyridine?
8-propan-2-ylcyclohepta[b]pyridine has a molecular weight of 183.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-ylcyclohepta[b]pyridine is sourced from PubChem (CID 123317223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).