2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one

C10H17N3O — CID 130136133

IUPAC2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESO=C1NC2CCCCC2N2NCCC12
InChIInChI=1S/C10H17N3O/c14-10-9-5-6-11-13(9)8-4-2-1-3-7(8)12-10/h7-9,11H,1-6H2,(H,12,14)
InChIKeyBAQBLEOVJTVBFJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.01
Rot. Bonds

About 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one

2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 130136133) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID130136133
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one
SMILESO=C1NC2CCCCC2N2NCCC12
InChIInChI=1S/C10H17N3O/c14-10-9-5-6-11-13(9)8-4-2-1-3-7(8)12-10/h7-9,11H,1-6H2,(H,12,14)
InChIKeyBAQBLEOVJTVBFJ-UHFFFAOYSA-N
XLogP0.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one (CID 130136133) is 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one is O=C1NC2CCCCC2N2NCCC12.
What is the InChIKey of 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is BAQBLEOVJTVBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c14-10-9-5-6-11-13(9)8-4-2-1-3-7(8)12-10/h7-9,11H,1-6H2,(H,12,14).
What are the key properties of 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one?
2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 130136133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).