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

C13H13ClN2O — CID 86288287

IUPAC8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(C)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C13H13ClN2O/c1-7-5-9(14)6-10-8(2)12-13(17)15-3-4-16(12)11(7)10/h5-6H,3-4H2,1-2H3,(H,15,17)
InChIKeyLUNRLTYPFBEBIV-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.65
Rot. Bonds

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

8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 86288287) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID86288287
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(C)cc(Cl)cc13)CCNC2=O
InChIInChI=1S/C13H13ClN2O/c1-7-5-9(14)6-10-8(2)12-13(17)15-3-4-16(12)11(7)10/h5-6H,3-4H2,1-2H3,(H,15,17)
InChIKeyLUNRLTYPFBEBIV-UHFFFAOYSA-N
XLogP2.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.65
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-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 86288287) is 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(C)cc(Cl)cc13)CCNC2=O.
What is the InChIKey of 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is LUNRLTYPFBEBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-7-5-9(14)6-10-8(2)12-13(17)15-3-4-16(12)11(7)10/h5-6H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 248.71 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 86288287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).