(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

C13H15ClN2O — CID 11483068

IUPAC(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O
InChIInChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyYMMIJLPGZMHLGI-NSHDSACASA-N
MW250.73 g/mol
LogP2.00
Rot. Bonds1

About (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one

(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (PubChem CID 11483068) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.

Molecular Properties

Compound Name(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
PubChem CID11483068
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
SMILESCCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O
InChIInChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
InChIKeyYMMIJLPGZMHLGI-NSHDSACASA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3990198
(R)-9-propyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11163458
(R)-9-isopropyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11175045
(R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11187156
(R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one
CID 11302765
(R)-9-ethenyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindo l-6(2H)-one
CID 11427139
(3aR,9bS)-6,7-dichloro-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
CID 11609025
(3Ar,9bs)-6-chloro-9-ethyl-2,3,3a,4-tetrahydro-1h-pyrrolo[3,4-c]isoquinolin-5(9bh)-one hydrochloride
CID 11630622
(3aR,9bS)-6-chloro-8-ethyl-4-methyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
CID 11652358
(3Ar,9bs)-6-chloro-8-methyl-2,3,3a,4-tetrahydro-1h-pyrrolo[3,4-c]isoquinolin-5(9bh)-one hydrochloride
CID 11666236
(3aR,9bS)-6-chloro-8-propyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
CID 11673841
(3aR,9bS)-6-chloro-8-ethyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
CID 11716184

Frequently Asked Questions

What is the IUPAC name of (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The IUPAC name of (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one (CID 11483068) is (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one.
What is the SMILES notation for (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The canonical SMILES for (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O.
What is the InChIKey of (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
The InChIKey is YMMIJLPGZMHLGI-NSHDSACASA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1.
What are the key properties of (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one?
(10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one has a molecular weight of 250.73 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one is sourced from PubChem (CID 11483068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).