(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one

C22H20N2O — CID 135030037

IUPAC(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
SMILESCC1=CC(c2ccccc2)=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12
InChIInChI=1S/C22H20N2O/c1-15-13-19(17-8-3-2-4-9-17)23-22(15)14-20(25)24-12-11-16-7-5-6-10-18(16)21(22)24/h2-10,13,21H,11-12,14H2,1H3/t21-,22-/m1/s1
InChIKeyCSRWDFQBFNOSPV-FGZHOGPDSA-N
MW328.41 g/mol
LogP3.70
Rot. Bonds1

About (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one

(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one (PubChem CID 135030037) has the molecular formula C22H20N2O and a molecular weight of 328.41 g/mol. Its IUPAC name is (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one.

Molecular Properties

Compound Name(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
PubChem CID135030037
Molecular FormulaC22H20N2O
Molecular Weight328.41 g/mol
Exact Mass328.16
IUPAC Name(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
SMILESCC1=CC(c2ccccc2)=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12
InChIInChI=1S/C22H20N2O/c1-15-13-19(17-8-3-2-4-9-17)23-22(15)14-20(25)24-12-11-16-7-5-6-10-18(16)21(22)24/h2-10,13,21H,11-12,14H2,1H3/t21-,22-/m1/s1
InChIKeyCSRWDFQBFNOSPV-FGZHOGPDSA-N
XLogP3.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,10bR)-5-[(dimethylamino)methyl]-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 122177933
1-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 155681236
1-(4-methylphenyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 177641062
1-[(3S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100722468
(1R,10bR)-1-Phenyl-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3(2H)-one
CID 91826620
(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
CID 135030036
(10R,10aR)-10-phenyl-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 154707737
CID 178271466
CID 178271466
(3aS,6R,6aR)-4-benzyl-2,3a-dimethyl-6,6a-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrol-5-one
CID 11731983
(6S,10bS)-6-phenyl-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 13202917
(6S,10bS)-6-methyl-6-phenyl-1,2,5,10b-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 21587460
10b-Methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 13202872

Frequently Asked Questions

What is the IUPAC name of (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The IUPAC name of (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one (CID 135030037) is (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one.
What is the SMILES notation for (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The canonical SMILES for (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one is CC1=CC(c2ccccc2)=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12.
What is the InChIKey of (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The InChIKey is CSRWDFQBFNOSPV-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-13-19(17-8-3-2-4-9-17)23-22(15)14-20(25)24-12-11-16-7-5-6-10-18(16)21(22)24/h2-10,13,21H,11-12,14H2,1H3/t21-,22-/m1/s1.
What are the key properties of (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one has a molecular weight of 328.41 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one is sourced from PubChem (CID 135030037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).