2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine

C10H13N — CID 70302287

IUPAC2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine
SMILESC1=CCC2=C(C=C1)NCCC2
InChIInChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-3,7,11H,4-6,8H2
InChIKeyGHYIHSCPSHQFAT-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.14
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine

2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine (PubChem CID 70302287) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine
PubChem CID70302287
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine
SMILESC1=CCC2=C(C=C1)NCCC2
InChIInChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-3,7,11H,4-6,8H2
InChIKeyGHYIHSCPSHQFAT-UHFFFAOYSA-N
XLogP2.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine (CID 70302287) is 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine is C1=CCC2=C(C=C1)NCCC2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine?
The InChIKey is GHYIHSCPSHQFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h1-3,7,11H,4-6,8H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine?
2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine has a molecular weight of 147.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-cyclohepta[b]pyridine is sourced from PubChem (CID 70302287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).