1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one

C11H12N2O — CID 83817792

IUPAC1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one
SMILESNC1CC(=O)N2Cc3ccccc3C12
InChIInChI=1S/C11H12N2O/c12-9-5-10(14)13-6-7-3-1-2-4-8(7)11(9)13/h1-4,9,11H,5-6,12H2
InChIKeyKCMIFDBVDIYQKK-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.80
Rot. Bonds

About 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one

1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one (PubChem CID 83817792) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one.

Molecular Properties

Compound Name1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one
PubChem CID83817792
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one
SMILESNC1CC(=O)N2Cc3ccccc3C12
InChIInChI=1S/C11H12N2O/c12-9-5-10(14)13-6-7-3-1-2-4-8(7)11(9)13/h1-4,9,11H,5-6,12H2
InChIKeyKCMIFDBVDIYQKK-UHFFFAOYSA-N
XLogP0.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
CID 132505935
1-methoxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 141163382
4-chloro-1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidin-2-one
CID 168686794
4-amino-5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrrolidin-2-one
CID 64507923
2,3-dihydro-1H-indene-1,2-diamine
CID 10986398
(1R,2R)-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaen-12-one
CID 11098751
(5R,10aR)-5-[(5R,10aR)-3-oxo-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-5-yl]-1,5,10,10a-tetrahydro-[1,3]oxazolo[3,4-b]isoquinolin-3-one
CID 155328439
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
CID 82193210
4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82193209
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
(3aR,9bS)-1-diphenylphosphoryl-3a,4,5,9b-tetrahydro-3H-benzo[g]indol-2-one
CID 177439089

Frequently Asked Questions

What is the IUPAC name of 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one?
The IUPAC name of 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one (CID 83817792) is 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one.
What is the SMILES notation for 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one?
The canonical SMILES for 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one is NC1CC(=O)N2Cc3ccccc3C12.
What is the InChIKey of 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one?
The InChIKey is KCMIFDBVDIYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-5-10(14)13-6-7-3-1-2-4-8(7)11(9)13/h1-4,9,11H,5-6,12H2.
What are the key properties of 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one?
1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one has a molecular weight of 188.23 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,2,5,9b-tetrahydropyrrolo[2,1-a]isoindol-3-one is sourced from PubChem (CID 83817792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).