(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

C18H17NO — CID 13202917

IUPAC(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CC[C@H]2c3ccccc3[C@H](c3ccccc3)CN12
InChIInChI=1S/C18H17NO/c20-18-11-10-17-15-9-5-4-8-14(15)16(12-19(17)18)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyYAPPKHIOVFLJJT-IRXDYDNUSA-N
MW263.34 g/mol
LogP3.50
Rot. Bonds1

About (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one

(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 13202917) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
PubChem CID13202917
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
SMILESO=C1CC[C@H]2c3ccccc3[C@H](c3ccccc3)CN12
InChIInChI=1S/C18H17NO/c20-18-11-10-17-15-9-5-4-8-14(15)16(12-19(17)18)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1
InChIKeyYAPPKHIOVFLJJT-IRXDYDNUSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one with MolForge

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Related Compounds

(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406
(S)-2-Amino-4-(3,4-dihydroisoquinolin-2(1H)-YL)-1-(isoindolin-2-YL)butane-1,4-dione
CID 23646032
Mcn 4612
CID 135949
6-Phenyl-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 13202963
10-Methyl-1,4-dihydro-1,4-(epiminomethano)naphthalen-9-one
CID 429398
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5m
CID 24776398
(2S)-2-amino-2-cyclohexyl-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CID 23646027
1-[(1S)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 10069687
(10bS)-6-phenyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline;hydrochloride
CID 45263057
2-[1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxopropan-2-yl]-1H-isoindole-1,3(2H)-dione
CID 3134071
2-(2-(1-Benzylpiperidin-4-yl)ethyl)isoindolin-1-one
CID 9974154

Frequently Asked Questions

What is the IUPAC name of (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one (CID 13202917) is (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is O=C1CC[C@H]2c3ccccc3[C@H](c3ccccc3)CN12.
What is the InChIKey of (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is YAPPKHIOVFLJJT-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H17NO/c20-18-11-10-17-15-9-5-4-8-14(15)16(12-19(17)18)13-6-2-1-3-7-13/h1-9,16-17H,10-12H2/t16-,17-/m0/s1.
What are the key properties of (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one?
(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 263.34 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 13202917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).