7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C12H12N2O — CID 123146872

IUPAC7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C12H12N2O/c1-8-2-3-9-7-11-12(15)13-4-5-14(11)10(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyIRPGHQPKEGNXHS-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.69
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 123146872) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID123146872
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C12H12N2O/c1-8-2-3-9-7-11-12(15)13-4-5-14(11)10(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,13,15)
InChIKeyIRPGHQPKEGNXHS-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 144714898
7-chloro-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 162434224
1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57394084
(5E)-9-chloro-6-methyl-5-sulfanyl-2,3-dihydro-1H-[1,4]diazocino[1,8-a]indol-4-one
CID 129127672
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 18520478
1-oxo-N-[(1S,2R)-2-(prop-2-enoylamino)cyclohexyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
CID 118597392
N-[5-methyl-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)-1,3-benzoxazol-4-yl]prop-2-enamide
CID 90462012
N-[(3R,4R)-4-methyl-1-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carbonyl)piperidin-3-yl]prop-2-enamide
CID 90462047
methyl 7-methyl-3-oxo-1,2-dihydropyrrolo[1,2-a]indole-2-carboxylate
CID 131875296
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10911822
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
CID 158060020

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 123146872) is 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1ccc2cc3n(c2c1)CCNC3=O.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is IRPGHQPKEGNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-3-9-7-11-12(15)13-4-5-14(11)10(9)6-8/h2-3,6-7H,4-5H2,1H3,(H,13,15).
What are the key properties of 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 200.24 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 123146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).