3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane

C16H24N2O — CID 143186094

IUPAC3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane
SMILESCC.Cc1cccc2c1C(=O)N(C)C1(C)CNCC21
InChIInChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-10-11-7-15-8-14(11,2)16(3)13(17)12(9)10;1-2/h4-6,11,15H,7-8H2,1-3H3;1-2H3
InChIKeySMVJEFHUXZNUMP-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds

About 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane

3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane (PubChem CID 143186094) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane.

Molecular Properties

Compound Name3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane
PubChem CID143186094
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane
SMILESCC.Cc1cccc2c1C(=O)N(C)C1(C)CNCC21
InChIInChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-10-11-7-15-8-14(11,2)16(3)13(17)12(9)10;1-2/h4-6,11,15H,7-8H2,1-3H3;1-2H3
InChIKeySMVJEFHUXZNUMP-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-difluoro-2,7-dimethylisoindol-1-one
CID 138533359
6-chloro-3a-methyl-2,3,4,9b-tetrahydro-1H-benzo[e]isoindol-5-one
CID 70664482
3-hydroxy-7-methyl-2-propyl-3H-isoindol-1-one
CID 91030977
5,6-dimethyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]quinolin-4-one
CID 68975938
3,3-dimethyl-5-(2-methylphenyl)piperidine
CID 82282661
6-methyl-1,2,3,4,5,9b-hexahydropyrido[4,3-b]indol-4a-amine
CID 153374670
1,2,2,8-tetramethyl-3H-quinolin-4-one
CID 54046594
5-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 67931396
(3aR,9bR)-6-chloro-3a-methyl-2,3,5,9b-tetrahydro-1H-isochromeno[3,4-c]pyrrole
CID 25231012
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
CID 103430966
2-(benzenesulfonyl)-7-methyl-3-phenyl-3H-isoindol-1-one
CID 25243699
4,7-dimethyl-2-(4-methylpiperidin-4-yl)isoindole-1,3-dione
CID 103430987

Frequently Asked Questions

What is the IUPAC name of 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane?
The IUPAC name of 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane (CID 143186094) is 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane.
What is the SMILES notation for 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane?
The canonical SMILES for 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane is CC.Cc1cccc2c1C(=O)N(C)C1(C)CNCC21.
What is the InChIKey of 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane?
The InChIKey is SMVJEFHUXZNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C2H6/c1-9-5-4-6-10-11-7-15-8-14(11,2)16(3)13(17)12(9)10;1-2/h4-6,11,15H,7-8H2,1-3H3;1-2H3.
What are the key properties of 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane?
3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane has a molecular weight of 260.38 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6-trimethyl-1,2,3,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one;ethane is sourced from PubChem (CID 143186094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).