8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C15H17ClN2O — CID 130281059

IUPAC8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCCCc1cc(Cl)cc2c(C)c3n(c12)CCNC3=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-10-7-11(16)8-12-9(2)13-15(19)17-5-6-18(13)14(10)12/h7-8H,3-6H2,1-2H3,(H,17,19)
InChIKeyFIWSKVMJKFBJNC-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.30
Rot. Bonds2

About 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 130281059) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID130281059
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCCCc1cc(Cl)cc2c(C)c3n(c12)CCNC3=O
InChIInChI=1S/C15H17ClN2O/c1-3-4-10-7-11(16)8-12-9(2)13-15(19)17-5-6-18(13)14(10)12/h7-8H,3-6H2,1-2H3,(H,17,19)
InChIKeyFIWSKVMJKFBJNC-UHFFFAOYSA-N
XLogP3.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 130281059) is 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is CCCc1cc(Cl)cc2c(C)c3n(c12)CCNC3=O.
What is the InChIKey of 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is FIWSKVMJKFBJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-4-10-7-11(16)8-12-9(2)13-15(19)17-5-6-18(13)14(10)12/h7-8H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 276.77 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-10-methyl-6-propyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 130281059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).