2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

C9H12N2 — CID 69029528

IUPAC2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC1=CC2=C(CC=N1)CCCN2
InChIInChI=1S/C9H12N2/c1-2-8-3-6-10-7-4-9(8)11-5-1/h4,6-7,11H,1-3,5H2
InChIKeyWEKMOHRJCHMFOG-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.61
Rot. Bonds

About 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine

2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (PubChem CID 69029528) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
PubChem CID69029528
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
SMILESC1=CC2=C(CC=N1)CCCN2
InChIInChI=1S/C9H12N2/c1-2-8-3-6-10-7-4-9(8)11-5-1/h4,6-7,11H,1-3,5H2
InChIKeyWEKMOHRJCHMFOG-UHFFFAOYSA-N
XLogP1.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The IUPAC name of 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine (CID 69029528) is 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The canonical SMILES for 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is C1=CC2=C(CC=N1)CCCN2.
What is the InChIKey of 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
The InChIKey is WEKMOHRJCHMFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-3-6-10-7-4-9(8)11-5-1/h4,6-7,11H,1-3,5H2.
What are the key properties of 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine?
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine has a molecular weight of 148.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine is sourced from PubChem (CID 69029528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).