(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C13H13ClN2O — CID 68890685

IUPAC(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3cc(Cl)ccc13)[C@H](C)CNC2=O
InChIInChI=1S/C13H13ClN2O/c1-7-6-15-13(17)12-8(2)10-4-3-9(14)5-11(10)16(7)12/h3-5,7H,6H2,1-2H3,(H,15,17)/t7-/m1/s1
InChIKeyBMRHFGCUMVTIFB-SSDOTTSWSA-N
MW248.71 g/mol
LogP2.91
Rot. Bonds

About (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 68890685) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID68890685
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3cc(Cl)ccc13)[C@H](C)CNC2=O
InChIInChI=1S/C13H13ClN2O/c1-7-6-15-13(17)12-8(2)10-4-3-9(14)5-11(10)16(7)12/h3-5,7H,6H2,1-2H3,(H,15,17)/t7-/m1/s1
InChIKeyBMRHFGCUMVTIFB-SSDOTTSWSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 68890685) is (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3cc(Cl)ccc13)[C@H](C)CNC2=O.
What is the InChIKey of (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is BMRHFGCUMVTIFB-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-7-6-15-13(17)12-8(2)10-4-3-9(14)5-11(10)16(7)12/h3-5,7H,6H2,1-2H3,(H,15,17)/t7-/m1/s1.
What are the key properties of (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
(4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 248.71 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-chloro-4,10-dimethyl-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 68890685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).