6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile

C12H11N3O — CID 11288140

IUPAC6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile
SMILESN#Cc1cccc2c1C(=O)N1CCNCC21
InChIInChI=1S/C12H11N3O/c13-6-8-2-1-3-9-10-7-14-4-5-15(10)12(16)11(8)9/h1-3,10,14H,4-5,7H2
InChIKeyHFARURMVYRLLSP-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.66
Rot. Bonds

About 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile

6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile (PubChem CID 11288140) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile.

Molecular Properties

Compound Name6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile
PubChem CID11288140
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile
SMILESN#Cc1cccc2c1C(=O)N1CCNCC21
InChIInChI=1S/C12H11N3O/c13-6-8-2-1-3-9-10-7-14-4-5-15(10)12(16)11(8)9/h1-3,10,14H,4-5,7H2
InChIKeyHFARURMVYRLLSP-UHFFFAOYSA-N
XLogP0.66
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5426
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(R)-Thalidomide
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Cc-11006
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N-(2-Oxo-3-piperidyl)phthalimide
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3-Oxo-2-Piperidin-4-Yl-2,3-Dihydro-1h-Isoindole-4-Carboxamide
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2-Cyclohexyl-3-oxoisoindoline-4-carboxamide
CID 5309879
1,2,3,8,9,9a-hexahydro-7H-benzo[de]-1,7-naphthyridin-7-one
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N-cyclopentyl-3-oxo-2-propylisoindoline-4-carboxamide
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CID 16194355

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile?
The IUPAC name of 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile (CID 11288140) is 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile.
What is the SMILES notation for 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile?
The canonical SMILES for 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile is N#Cc1cccc2c1C(=O)N1CCNCC21.
What is the InChIKey of 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile?
The InChIKey is HFARURMVYRLLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c13-6-8-2-1-3-9-10-7-14-4-5-15(10)12(16)11(8)9/h1-3,10,14H,4-5,7H2.
What are the key properties of 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile?
6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2,3,4,10b-tetrahydro-1H-pyrazino[2,1-a]isoindole-7-carbonitrile is sourced from PubChem (CID 11288140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).