(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one

C18H19NO2 — CID 139125619

IUPAC(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one
SMILESCC1=C[C@@]23CCCN2C(=O)[C@H](c2ccccc2)[C@@]3(O)C=C1
InChIInChI=1S/C18H19NO2/c1-13-8-10-18(21)15(14-6-3-2-4-7-14)16(20)19-11-5-9-17(18,19)12-13/h2-4,6-8,10,12,15,21H,5,9,11H2,1H3/t15-,17+,18-/m0/s1
InChIKeyMZMFQASDGYLTJX-JQHSSLGASA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds1

About (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one

(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one (PubChem CID 139125619) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one.

Molecular Properties

Compound Name(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one
PubChem CID139125619
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one
SMILESCC1=C[C@@]23CCCN2C(=O)[C@H](c2ccccc2)[C@@]3(O)C=C1
InChIInChI=1S/C18H19NO2/c1-13-8-10-18(21)15(14-6-3-2-4-7-14)16(20)19-11-5-9-17(18,19)12-13/h2-4,6-8,10,12,15,21H,5,9,11H2,1H3/t15-,17+,18-/m0/s1
InChIKeyMZMFQASDGYLTJX-JQHSSLGASA-N
XLogP2.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one with MolForge

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Related Compounds

3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
CID 3046225
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, cis-
CID 3077803
Tert-butyl-6-phenyl-2,3,7,7a-tetrahydro-1 h-3a,6-epoxyisoindol-1-one
CID 129874463
1-Hydroxy-1-phenyl-1,2,5,7a-tetrahydro-pyrrolizin-3-one
CID 549412
1-Hydroxy-2,2-dimethyl-1-phenyl-hexahydropyrrolizin-3-one
CID 551066
1-Hydroxy-6,7-dimethyl-1-phenyl-hexahydro-pyrrolizin-3-on
CID 567008
1-Hydroxy-1-phenyl-1,2,5,9b(3H)-tetrahydropyrrolo[2,1-a]isoinden-3-one
CID 576510
(5R,8R)-5-(2-hydroxypropan-2-yl)-8-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 142588506
1-Ethyl-4-hydroxy-5-methyl-4-phenylpyrrolidin-2-one
CID 12196324
4-Hydroxy-4-phenyl-1-propan-2-ylpyrrolidin-2-one
CID 16755123
(1S,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
CID 21152172
(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
CID 21155201

Frequently Asked Questions

What is the IUPAC name of (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one?
The IUPAC name of (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one (CID 139125619) is (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one.
What is the SMILES notation for (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one?
The canonical SMILES for (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one is CC1=C[C@@]23CCCN2C(=O)[C@H](c2ccccc2)[C@@]3(O)C=C1.
What is the InChIKey of (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one?
The InChIKey is MZMFQASDGYLTJX-JQHSSLGASA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-8-10-18(21)15(14-6-3-2-4-7-14)16(20)19-11-5-9-17(18,19)12-13/h2-4,6-8,10,12,15,21H,5,9,11H2,1H3/t15-,17+,18-/m0/s1.
What are the key properties of (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one?
(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one has a molecular weight of 281.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one is sourced from PubChem (CID 139125619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).