5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one

C12H15N3O — CID 52938021

IUPAC5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one
SMILESO=C1CCNc2ncccc2CN1C1CC1
InChIInChI=1S/C12H15N3O/c16-11-5-7-14-12-9(2-1-6-13-12)8-15(11)10-3-4-10/h1-2,6,10H,3-5,7-8H2,(H,13,14)
InChIKeyAWOIXQIEXLSBCE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.39
Rot. Bonds1

About 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one

5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one (PubChem CID 52938021) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one
PubChem CID52938021
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one
SMILESO=C1CCNc2ncccc2CN1C1CC1
InChIInChI=1S/C12H15N3O/c16-11-5-7-14-12-9(2-1-6-13-12)8-15(11)10-3-4-10/h1-2,6,10H,3-5,7-8H2,(H,13,14)
InChIKeyAWOIXQIEXLSBCE-UHFFFAOYSA-N
XLogP1.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one?
The IUPAC name of 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one (CID 52938021) is 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one.
What is the SMILES notation for 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one?
The canonical SMILES for 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one is O=C1CCNc2ncccc2CN1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one?
The InChIKey is AWOIXQIEXLSBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-11-5-7-14-12-9(2-1-6-13-12)8-15(11)10-3-4-10/h1-2,6,10H,3-5,7-8H2,(H,13,14).
What are the key properties of 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one?
5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2,3,6-tetrahydropyrido[2,3-b][1,5]diazocin-4-one is sourced from PubChem (CID 52938021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).