8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H24N2O — CID 130281375

IUPAC8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCCC=Cc1cc(CC(C)C)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C19H24N2O/c1-4-5-6-14-10-15(9-13(2)3)18-16(11-14)12-17-19(22)20-7-8-21(17)18/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,22)
InChIKeyFIWHITDYDVKNQM-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.01
Rot. Bonds4

About 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 130281375) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID130281375
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCCC=Cc1cc(CC(C)C)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C19H24N2O/c1-4-5-6-14-10-15(9-13(2)3)18-16(11-14)12-17-19(22)20-7-8-21(17)18/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,22)
InChIKeyFIWHITDYDVKNQM-UHFFFAOYSA-N
XLogP4.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-chloro-7-(2-methylpropyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
CID 86288433
6-bromo-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 90036902
3-methyl-5-propan-2-yl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 140536966
7-methyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 123146872
6,9-dimethoxy-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 10911822
3-methyl-1,4,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,8-triene-6,10-dione
CID 91365303
2-[4-(2-methylpropyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 139946184
8-chloro-6-(4-fluorophenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one;8-chloro-6-(4-methoxyphenyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 158783229
7-acetyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 144714898
1-oxo-6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 90036060
7-ethyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
CID 137006022
1-oxo-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
CID 118341152

Frequently Asked Questions

What is the IUPAC name of 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 130281375) is 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CCC=Cc1cc(CC(C)C)c2c(c1)cc1n2CCNC1=O.
What is the InChIKey of 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is FIWHITDYDVKNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-5-6-14-10-15(9-13(2)3)18-16(11-14)12-17-19(22)20-7-8-21(17)18/h5-6,10-13H,4,7-9H2,1-3H3,(H,20,22).
What are the key properties of 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 296.41 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-1-enyl-6-(2-methylpropyl)-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 130281375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).