5,6-dihydropyrrolo[3,2-c]azocin-4-one

C9H8N2O — CID 151683622

IUPAC5,6-dihydropyrrolo[3,2-c]azocin-4-one
SMILESO=C1NCC=CC=C2N=CC=C12
InChIInChI=1S/C9H8N2O/c12-9-7-4-6-10-8(7)3-1-2-5-11-9/h1-4,6H,5H2,(H,11,12)
InChIKeyRBBJALAGFOUIEH-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.57
Rot. Bonds

About 5,6-dihydropyrrolo[3,2-c]azocin-4-one

5,6-dihydropyrrolo[3,2-c]azocin-4-one (PubChem CID 151683622) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5,6-dihydropyrrolo[3,2-c]azocin-4-one.

Molecular Properties

Compound Name5,6-dihydropyrrolo[3,2-c]azocin-4-one
PubChem CID151683622
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5,6-dihydropyrrolo[3,2-c]azocin-4-one
SMILESO=C1NCC=CC=C2N=CC=C12
InChIInChI=1S/C9H8N2O/c12-9-7-4-6-10-8(7)3-1-2-5-11-9/h1-4,6H,5H2,(H,11,12)
InChIKeyRBBJALAGFOUIEH-UHFFFAOYSA-N
XLogP0.57
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydropyrrolo[3,2-c]azocin-4-one?
The IUPAC name of 5,6-dihydropyrrolo[3,2-c]azocin-4-one (CID 151683622) is 5,6-dihydropyrrolo[3,2-c]azocin-4-one.
What is the SMILES notation for 5,6-dihydropyrrolo[3,2-c]azocin-4-one?
The canonical SMILES for 5,6-dihydropyrrolo[3,2-c]azocin-4-one is O=C1NCC=CC=C2N=CC=C12.
What is the InChIKey of 5,6-dihydropyrrolo[3,2-c]azocin-4-one?
The InChIKey is RBBJALAGFOUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-7-4-6-10-8(7)3-1-2-5-11-9/h1-4,6H,5H2,(H,11,12).
What are the key properties of 5,6-dihydropyrrolo[3,2-c]azocin-4-one?
5,6-dihydropyrrolo[3,2-c]azocin-4-one has a molecular weight of 160.18 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydropyrrolo[3,2-c]azocin-4-one is sourced from PubChem (CID 151683622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).