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

C11H16N2O — CID 157377001

IUPAC2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESCCOc1ccc2c(n1)CCNCC2
InChIInChI=1S/C11H16N2O/c1-2-14-11-4-3-9-5-7-12-8-6-10(9)13-11/h3-4,12H,2,5-8H2,1H3
InChIKeyCCLQXZDHCCAUHQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.17
Rot. Bonds2

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

2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (PubChem CID 157377001) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.

Molecular Properties

Compound Name2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
PubChem CID157377001
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine
SMILESCCOc1ccc2c(n1)CCNCC2
InChIInChI=1S/C11H16N2O/c1-2-14-11-4-3-9-5-7-12-8-6-10(9)13-11/h3-4,12H,2,5-8H2,1H3
InChIKeyCCLQXZDHCCAUHQ-UHFFFAOYSA-N
XLogP1.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The IUPAC name of 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine (CID 157377001) is 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine.
What is the SMILES notation for 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The canonical SMILES for 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is CCOc1ccc2c(n1)CCNCC2.
What is the InChIKey of 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
The InChIKey is CCLQXZDHCCAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-14-11-4-3-9-5-7-12-8-6-10(9)13-11/h3-4,12H,2,5-8H2,1H3.
What are the key properties of 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine?
2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine has a molecular weight of 192.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine is sourced from PubChem (CID 157377001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).