6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine

C13H16N2 — CID 135136200

IUPAC6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine
SMILESc1cnc2c(c1)NC(=C1CCC1)CCC2
InChIInChI=1S/C13H16N2/c1-4-10(5-1)11-6-2-7-12-13(15-11)8-3-9-14-12/h3,8-9,15H,1-2,4-7H2
InChIKeyKSLNMCVWUVAQNP-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.27
Rot. Bonds

About 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine

6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine (PubChem CID 135136200) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine.

Molecular Properties

Compound Name6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine
PubChem CID135136200
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine
SMILESc1cnc2c(c1)NC(=C1CCC1)CCC2
InChIInChI=1S/C13H16N2/c1-4-10(5-1)11-6-2-7-12-13(15-11)8-3-9-14-12/h3,8-9,15H,1-2,4-7H2
InChIKeyKSLNMCVWUVAQNP-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine?
The IUPAC name of 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine (CID 135136200) is 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine.
What is the SMILES notation for 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine?
The canonical SMILES for 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine is c1cnc2c(c1)NC(=C1CCC1)CCC2.
What is the InChIKey of 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine?
The InChIKey is KSLNMCVWUVAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-10(5-1)11-6-2-7-12-13(15-11)8-3-9-14-12/h3,8-9,15H,1-2,4-7H2.
What are the key properties of 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine?
6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine has a molecular weight of 200.28 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylidene-5,7,8,9-tetrahydropyrido[3,2-b]azepine is sourced from PubChem (CID 135136200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).