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

C16H16N2O — CID 135030036

IUPAC(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
SMILESCC1=CC=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12
InChIInChI=1S/C16H16N2O/c1-11-6-8-17-16(11)10-14(19)18-9-7-12-4-2-3-5-13(12)15(16)18/h2-6,8,15H,7,9-10H2,1H3/t15-,16-/m1/s1
InChIKeyYOTHQPBRFAVTGM-HZPDHXFCSA-N
MW252.32 g/mol
LogP2.29
Rot. Bonds

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

(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one (PubChem CID 135030036) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one.

Molecular Properties

Compound Name(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
PubChem CID135030036
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
SMILESCC1=CC=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12
InChIInChI=1S/C16H16N2O/c1-11-6-8-17-16(11)10-14(19)18-9-7-12-4-2-3-5-13(12)15(16)18/h2-6,8,15H,7,9-10H2,1H3/t15-,16-/m1/s1
InChIKeyYOTHQPBRFAVTGM-HZPDHXFCSA-N
XLogP2.29
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one with MolForge

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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
Tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 4314166
1-(4-fluoro-2-methylphenyl)-1,2-bis(prop-2-enyl)-4,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-6-one
CID 141439675
(1R,10bR)-3'-methyl-5'-phenylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one
CID 135030037
CID 178269911
CID 178269911
CID 178269912
CID 178269912
1-amino-9-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 112485913
1-amino-8-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 112485914
1-amino-10-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 112485915
1-amino-7-fluoro-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 112485916
2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 13150098
(10aR)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one
CID 15939395

Frequently Asked Questions

What is the IUPAC name of (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The IUPAC name of (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one (CID 135030036) is (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one.
What is the SMILES notation for (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The canonical SMILES for (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one is CC1=CC=N[C@]12CC(=O)N1CCc3ccccc3[C@@H]12.
What is the InChIKey of (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
The InChIKey is YOTHQPBRFAVTGM-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-6-8-17-16(11)10-14(19)18-9-7-12-4-2-3-5-13(12)15(16)18/h2-6,8,15H,7,9-10H2,1H3/t15-,16-/m1/s1.
What are the key properties of (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one?
(1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one has a molecular weight of 252.32 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bR)-3'-methylspiro[2,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1,2'-pyrrole]-3-one is sourced from PubChem (CID 135030036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).