8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

C14H18N2O — CID 84740780

IUPAC8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCC(C)c1ccc2c(c1)CC1CNCC(=O)N21
InChIInChI=1S/C14H18N2O/c1-9(2)10-3-4-13-11(5-10)6-12-7-15-8-14(17)16(12)13/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyHFYUFVXJJDHVNA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.67
Rot. Bonds1

About 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one

8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (PubChem CID 84740780) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.

Molecular Properties

Compound Name8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
PubChem CID84740780
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one
SMILESCC(C)c1ccc2c(c1)CC1CNCC(=O)N21
InChIInChI=1S/C14H18N2O/c1-9(2)10-3-4-13-11(5-10)6-12-7-15-8-14(17)16(12)13/h3-5,9,12,15H,6-8H2,1-2H3
InChIKeyHFYUFVXJJDHVNA-UHFFFAOYSA-N
XLogP1.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The IUPAC name of 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one (CID 84740780) is 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one.
What is the SMILES notation for 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The canonical SMILES for 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is CC(C)c1ccc2c(c1)CC1CNCC(=O)N21.
What is the InChIKey of 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
The InChIKey is HFYUFVXJJDHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)10-3-4-13-11(5-10)6-12-7-15-8-14(17)16(12)13/h3-5,9,12,15H,6-8H2,1-2H3.
What are the key properties of 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one?
8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one has a molecular weight of 230.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-2,3,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-4-one is sourced from PubChem (CID 84740780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).