1,2,3,4-tetrahydrocyclohepta[b]pyridine

C10H11N — CID 89378692

IUPAC1,2,3,4-tetrahydrocyclohepta[b]pyridine
SMILESC1=CC=C2CCCNC2=CC=1
InChIInChI=1S/C10H11N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h2-3,5,7,11H,4,6,8H2
InChIKeyOLVYJRNKNAPIHZ-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.90
Rot. Bonds

About 1,2,3,4-tetrahydrocyclohepta[b]pyridine

1,2,3,4-tetrahydrocyclohepta[b]pyridine (PubChem CID 89378692) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrocyclohepta[b]pyridine.

Molecular Properties

Compound Name1,2,3,4-tetrahydrocyclohepta[b]pyridine
PubChem CID89378692
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name1,2,3,4-tetrahydrocyclohepta[b]pyridine
SMILESC1=CC=C2CCCNC2=CC=1
InChIInChI=1S/C10H11N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h2-3,5,7,11H,4,6,8H2
InChIKeyOLVYJRNKNAPIHZ-UHFFFAOYSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The IUPAC name of 1,2,3,4-tetrahydrocyclohepta[b]pyridine (CID 89378692) is 1,2,3,4-tetrahydrocyclohepta[b]pyridine.
What is the SMILES notation for 1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The canonical SMILES for 1,2,3,4-tetrahydrocyclohepta[b]pyridine is C1=CC=C2CCCNC2=CC=1.
What is the InChIKey of 1,2,3,4-tetrahydrocyclohepta[b]pyridine?
The InChIKey is OLVYJRNKNAPIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h2-3,5,7,11H,4,6,8H2.
What are the key properties of 1,2,3,4-tetrahydrocyclohepta[b]pyridine?
1,2,3,4-tetrahydrocyclohepta[b]pyridine has a molecular weight of 145.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrocyclohepta[b]pyridine is sourced from PubChem (CID 89378692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).