6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine

C9H12N2 — CID 67451485

IUPAC6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine
SMILESc1cnc2c(c1)CCCNC2
InChIInChI=1S/C9H12N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h2,4,6,10H,1,3,5,7H2
InChIKeyBKQOMLORWCLWHP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.12
Rot. Bonds

About 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine

6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine (PubChem CID 67451485) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine
PubChem CID67451485
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine
SMILESc1cnc2c(c1)CCCNC2
InChIInChI=1S/C9H12N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h2,4,6,10H,1,3,5,7H2
InChIKeyBKQOMLORWCLWHP-UHFFFAOYSA-N
XLogP1.12
TPSA24.92 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine?
The IUPAC name of 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine (CID 67451485) is 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine is c1cnc2c(c1)CCCNC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine?
The InChIKey is BKQOMLORWCLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-4-2-6-11-9(8)7-10-5-1/h2,4,6,10H,1,3,5,7H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine?
6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine has a molecular weight of 148.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-pyrido[2,3-c]azepine is sourced from PubChem (CID 67451485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).