2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine

C9H16N2 — CID 12933797

IUPAC2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine
SMILESC1CCN2CCCCC2=NC1
InChIInChI=1S/C9H16N2/c1-3-7-11-8-4-2-6-10-9(11)5-1/h1-8H2
InChIKeyMHSNXACVIOVSCQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.66
Rot. Bonds

About 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine

2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine (PubChem CID 12933797) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine.

Molecular Properties

Compound Name2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine
PubChem CID12933797
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine
SMILESC1CCN2CCCCC2=NC1
InChIInChI=1S/C9H16N2/c1-3-7-11-8-4-2-6-10-9(11)5-1/h1-8H2
InChIKeyMHSNXACVIOVSCQ-UHFFFAOYSA-N
XLogP1.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine?
The IUPAC name of 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine (CID 12933797) is 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine.
What is the SMILES notation for 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine?
The canonical SMILES for 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine is C1CCN2CCCCC2=NC1.
What is the InChIKey of 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine?
The InChIKey is MHSNXACVIOVSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-7-11-8-4-2-6-10-9(11)5-1/h1-8H2.
What are the key properties of 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine?
2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine has a molecular weight of 152.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine is sourced from PubChem (CID 12933797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).