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

C11H8N2O — CID 141364552

IUPAC3H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CN=Cc2cc3ccccc3n21
InChIInChI=1S/C11H8N2O/c14-11-7-12-6-9-5-8-3-1-2-4-10(8)13(9)11/h1-6H,7H2
InChIKeyDTSYBBFVOHQGAN-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.71
Rot. Bonds

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

3H-pyrazino[1,2-a]indol-4-one (PubChem CID 141364552) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name3H-pyrazino[1,2-a]indol-4-one
PubChem CID141364552
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3H-pyrazino[1,2-a]indol-4-one
SMILESO=C1CN=Cc2cc3ccccc3n21
InChIInChI=1S/C11H8N2O/c14-11-7-12-6-9-5-8-3-1-2-4-10(8)13(9)11/h1-6H,7H2
InChIKeyDTSYBBFVOHQGAN-UHFFFAOYSA-N
XLogP1.71
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-pyrido[1,2-a]indol-6-one;hydrochloride
CID 86746430
9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
CID 10821901
9-ethyl-9-hydroxy-7,8-dihydropyrido[1,2-a]indol-6-one
CID 71469389
2-methyl-2,3-dihydropyrrolo[1,2-a]indol-1-one
CID 12820627
8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
CID 15063399
2-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,13,15,17,19-nonaen-11-one
CID 163751220
2-chloroindolo[1,2-a]indol-11-one
CID 132518605
3H-diazepino[1,7-a]indole
CID 14002687
1H-[1,4]diazepino[1,2-a]indole
CID 56984684
1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 10559092
1,10,24-triaza-17-boraoctacyclo[15.15.0.02,10.04,9.011,16.018,23.024,32.025,30]dotriaconta-2,4,6,8,11,13,15,18,20,22,25,27,29,31-tetradecaene
CID 90070066
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817

Frequently Asked Questions

What is the IUPAC name of 3H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 3H-pyrazino[1,2-a]indol-4-one (CID 141364552) is 3H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 3H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 3H-pyrazino[1,2-a]indol-4-one is O=C1CN=Cc2cc3ccccc3n21.
What is the InChIKey of 3H-pyrazino[1,2-a]indol-4-one?
The InChIKey is DTSYBBFVOHQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-7-12-6-9-5-8-3-1-2-4-10(8)13(9)11/h1-6H,7H2.
What are the key properties of 3H-pyrazino[1,2-a]indol-4-one?
3H-pyrazino[1,2-a]indol-4-one has a molecular weight of 184.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 141364552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).