1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole

C17H17N — CID 175719174

IUPAC1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole
SMILESc1ccc(C2CCN3Cc4ccccc4C23)cc1
InChIInChI=1S/C17H17N/c1-2-6-13(7-3-1)16-10-11-18-12-14-8-4-5-9-15(14)17(16)18/h1-9,16-17H,10-12H2
InChIKeyLLRHJJFTDBQZPQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.73
Rot. Bonds1

About 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole

1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole (PubChem CID 175719174) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole.

Molecular Properties

Compound Name1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole
PubChem CID175719174
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole
SMILESc1ccc(C2CCN3Cc4ccccc4C23)cc1
InChIInChI=1S/C17H17N/c1-2-6-13(7-3-1)16-10-11-18-12-14-8-4-5-9-15(14)17(16)18/h1-9,16-17H,10-12H2
InChIKeyLLRHJJFTDBQZPQ-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 101469707
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CID 4067062
(5S)-2-methyl-5-phenyl-4,5-dihydro-1H-2,4-benzodiazepine-3-thione
CID 129363287
(11S,11aS)-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 54082330
2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 141180935
(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
2-cyclopropyl-1,3-dihydroisoindole
CID 12953703
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(11R,11aS)-N-methyl-2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizin-11-amine
CID 12967038
(9S,12aR,12bR)-9-phenyl-5,6,9,10,11,12,12a,12b-octahydroindazolo[3,2-a]isoquinoline
CID 134954145
(10S)-10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454386
10-methyl-11-(2,3,5-trimethylphenyl)-9,11-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 162296643

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole?
The IUPAC name of 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole (CID 175719174) is 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole.
What is the SMILES notation for 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole?
The canonical SMILES for 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole is c1ccc(C2CCN3Cc4ccccc4C23)cc1.
What is the InChIKey of 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole?
The InChIKey is LLRHJJFTDBQZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-6-13(7-3-1)16-10-11-18-12-14-8-4-5-9-15(14)17(16)18/h1-9,16-17H,10-12H2.
What are the key properties of 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole?
1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole has a molecular weight of 235.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3,5,9b-tetrahydro-1H-pyrrolo[2,1-a]isoindole is sourced from PubChem (CID 175719174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).