1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C12H14N2O — CID 23456510

IUPAC1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCC1NCCN2C(=O)C3=CC=CCC3=C12
InChIInChI=1S/C12H14N2O/c1-8-11-9-4-2-3-5-10(9)12(15)14(11)7-6-13-8/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeySJNZXKHMOIBHIZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.96
Rot. Bonds

About 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 23456510) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID23456510
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCC1NCCN2C(=O)C3=CC=CCC3=C12
InChIInChI=1S/C12H14N2O/c1-8-11-9-4-2-3-5-10(9)12(15)14(11)7-6-13-8/h2-3,5,8,13H,4,6-7H2,1H3
InChIKeySJNZXKHMOIBHIZ-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

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Related Compounds

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CID 154518170
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CID 71888820
4-[(3S)-3-aminopiperidine-1-carbonyl]-6-ethyl-1H-pyridin-2-one
CID 97894208
1-methyl-N-(1-methylpiperidin-3-yl)-6-oxopyridine-3-carboxamide
CID 121558710
5-[3-[(E)-2-fluoroprop-1-enyl]-2-methylidene-5-oxo-4-[(Z)-prop-1-enyl]pyrrol-1-yl]-6-methylidenepiperidin-2-one
CID 171801846
3-ethenyl-4-[(E)-1-fluoroprop-1-enyl]-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrole-2,5-dione
CID 177044326
N-[(3S,4R)-3-fluoro-1-propan-2-ylpiperidin-4-yl]-2-methyl-1-oxo-7H-cyclopenta[c]pyridine-4-carboxamide
CID 159731204
N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018733
2-amino-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018734
2-(dimethylamino)-N-[2-(dimethylamino)ethyl]-10a,11-dihydro-4aH-benzo[a]carbazole-5-carboxamide
CID 172018744
3-Butyl-1-methyl-4-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]piperazin-2-one
CID 56711658
(5-Methylidenecyclohexa-1,3-dien-1-yl)-piperazin-1-ylmethanone
CID 21257349

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 23456510) is 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is CC1NCCN2C(=O)C3=CC=CCC3=C12.
What is the InChIKey of 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is SJNZXKHMOIBHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-11-9-4-2-3-5-10(9)12(15)14(11)7-6-13-8/h2-3,5,8,13H,4,6-7H2,1H3.
What are the key properties of 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 202.26 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,4,10-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 23456510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).