8H-cyclohepta[c]pyridine;ethane

C12H15N — CID 142141747

IUPAC8H-cyclohepta[c]pyridine;ethane
SMILESC1=CCC=c2cnccc2=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h1-2,4-8H,3H2;1-2H3
InChIKeyAPSVXZZZXJCRLZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds

About 8H-cyclohepta[c]pyridine;ethane

8H-cyclohepta[c]pyridine;ethane (PubChem CID 142141747) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 8H-cyclohepta[c]pyridine;ethane.

Molecular Properties

Compound Name8H-cyclohepta[c]pyridine;ethane
PubChem CID142141747
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name8H-cyclohepta[c]pyridine;ethane
SMILESC1=CCC=c2cnccc2=C1.CC
InChIInChI=1S/C10H9N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h1-2,4-8H,3H2;1-2H3
InChIKeyAPSVXZZZXJCRLZ-UHFFFAOYSA-N
XLogP1.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8H-cyclohepta[c]pyridine;ethane?
The IUPAC name of 8H-cyclohepta[c]pyridine;ethane (CID 142141747) is 8H-cyclohepta[c]pyridine;ethane.
What is the SMILES notation for 8H-cyclohepta[c]pyridine;ethane?
The canonical SMILES for 8H-cyclohepta[c]pyridine;ethane is C1=CCC=c2cnccc2=C1.CC.
What is the InChIKey of 8H-cyclohepta[c]pyridine;ethane?
The InChIKey is APSVXZZZXJCRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C2H6/c1-2-4-9-6-7-11-8-10(9)5-3-1;1-2/h1-2,4-8H,3H2;1-2H3.
What are the key properties of 8H-cyclohepta[c]pyridine;ethane?
8H-cyclohepta[c]pyridine;ethane has a molecular weight of 173.26 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclohepta[c]pyridine;ethane is sourced from PubChem (CID 142141747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).