4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine

C11H16N2 — CID 118170636

IUPAC4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine
SMILESCCC1CCNC2=C1C=CC=CN2
InChIInChI=1S/C11H16N2/c1-2-9-6-8-13-11-10(9)5-3-4-7-12-11/h3-5,7,9,12-13H,2,6,8H2,1H3
InChIKeyHDWGNNPWGINZGC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.89
Rot. Bonds1

About 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine

4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine (PubChem CID 118170636) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine
PubChem CID118170636
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine
SMILESCCC1CCNC2=C1C=CC=CN2
InChIInChI=1S/C11H16N2/c1-2-9-6-8-13-11-10(9)5-3-4-7-12-11/h3-5,7,9,12-13H,2,6,8H2,1H3
InChIKeyHDWGNNPWGINZGC-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine?
The IUPAC name of 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine (CID 118170636) is 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine.
What is the SMILES notation for 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine?
The canonical SMILES for 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine is CCC1CCNC2=C1C=CC=CN2.
What is the InChIKey of 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine?
The InChIKey is HDWGNNPWGINZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-9-6-8-13-11-10(9)5-3-4-7-12-11/h3-5,7,9,12-13H,2,6,8H2,1H3.
What are the key properties of 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine?
4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine has a molecular weight of 176.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine is sourced from PubChem (CID 118170636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).