cyclohepta[c]pyridine;ethane

C12H13N — CID 142295931

IUPACcyclohepta[c]pyridine;ethane
SMILESC1=CC=c2ccncc2=CC=1.CC
InChIInChI=1S/C10H7N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h2-8H;1-2H3
InChIKeyQLGBNCPWYASJJE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.39
Rot. Bonds

About cyclohepta[c]pyridine;ethane

cyclohepta[c]pyridine;ethane (PubChem CID 142295931) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is cyclohepta[c]pyridine;ethane.

Molecular Properties

Compound Namecyclohepta[c]pyridine;ethane
PubChem CID142295931
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Namecyclohepta[c]pyridine;ethane
SMILESC1=CC=c2ccncc2=CC=1.CC
InChIInChI=1S/C10H7N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h2-8H;1-2H3
InChIKeyQLGBNCPWYASJJE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[c]pyridine;ethane?
The IUPAC name of cyclohepta[c]pyridine;ethane (CID 142295931) is cyclohepta[c]pyridine;ethane.
What is the SMILES notation for cyclohepta[c]pyridine;ethane?
The canonical SMILES for cyclohepta[c]pyridine;ethane is C1=CC=c2ccncc2=CC=1.CC.
What is the InChIKey of cyclohepta[c]pyridine;ethane?
The InChIKey is QLGBNCPWYASJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h2-8H;1-2H3.
What are the key properties of cyclohepta[c]pyridine;ethane?
cyclohepta[c]pyridine;ethane has a molecular weight of 171.24 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[c]pyridine;ethane is sourced from PubChem (CID 142295931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).