4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one

C14H18N2O — CID 90800811

IUPAC4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
SMILESCC(C)N1C(=O)c2ccccc2C2CNCC21
InChIInChI=1S/C14H18N2O/c1-9(2)16-13-8-15-7-12(13)10-5-3-4-6-11(10)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyAJQUFAXUGYNRLL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.61
Rot. Bonds1

About 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one

4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one (PubChem CID 90800811) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
PubChem CID90800811
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
SMILESCC(C)N1C(=O)c2ccccc2C2CNCC21
InChIInChI=1S/C14H18N2O/c1-9(2)16-13-8-15-7-12(13)10-5-3-4-6-11(10)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3
InChIKeyAJQUFAXUGYNRLL-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one with MolForge

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Related Compounds

2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099
3-hydroxy-2-[(3S,4R)-4-methylpyrrolidin-3-yl]-3H-isoindol-1-one
CID 90324221
ethane;2-propan-2-yl-3-propyl-3H-isoindol-1-one
CID 159427584
5-(4-methylphenyl)-1,2,3,3a,4,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 66821236
2-(4-methylpyrrolidin-3-yl)isoindole-1,3-dione
CID 58030165
2-propan-2-yl-3-pyridin-2-yl-3H-isoindol-1-one
CID 155394913
(3aS,9bR)-4-methyl-6-(trifluoromethyl)-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
CID 11638088
(3aR,9bS)-2-chloro-4-methyl-1,3,3a,9b-tetrahydropyrrolo[3,4-c]isoquinolin-5-one
CID 89164914
2-[(4S)-4-methoxypyrrolidin-3-yl]isoindole-1,3-dione
CID 61350385
(3R)-3-(1H-indol-3-yl)-2-[(1S)-1-phenylethyl]-3H-isoindol-1-one
CID 41031631
(3R)-3-(1H-indol-3-yl)-2-[(1R)-1-phenylethyl]-3H-isoindol-1-one
CID 41031632
N-cycloheptyl-3-oxo-2-propan-2-yl-1H-isoindole-1-carboxamide
CID 3238693

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one?
The IUPAC name of 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one (CID 90800811) is 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one.
What is the SMILES notation for 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one?
The canonical SMILES for 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one is CC(C)N1C(=O)c2ccccc2C2CNCC21.
What is the InChIKey of 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one?
The InChIKey is AJQUFAXUGYNRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)16-13-8-15-7-12(13)10-5-3-4-6-11(10)14(16)17/h3-6,9,12-13,15H,7-8H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one?
4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one has a molecular weight of 230.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one is sourced from PubChem (CID 90800811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).