[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone

C20H21N3O — CID 139458547

IUPAC[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
SMILESCN1C[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c4c3)C[C@@H]2C1
InChIInChI=1S/C20H21N3O/c1-22-9-14-11-23(12-15(14)10-22)20(24)13-6-7-19-17(8-13)16-4-2-3-5-18(16)21-19/h2-8,14-15,21H,9-12H2,1H3/t14-,15+
InChIKeyUTZATOYJZNGCNY-GASCZTMLSA-N
MW319.41 g/mol
LogP2.95
Rot. Bonds1

About [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone

[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone (PubChem CID 139458547) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
PubChem CID139458547
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone
SMILESCN1C[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c4c3)C[C@@H]2C1
InChIInChI=1S/C20H21N3O/c1-22-9-14-11-23(12-15(14)10-22)20(24)13-6-7-19-17(8-13)16-4-2-3-5-18(16)21-19/h2-8,14-15,21H,9-12H2,1H3/t14-,15+
InChIKeyUTZATOYJZNGCNY-GASCZTMLSA-N
XLogP2.95
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone with MolForge

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Related Compounds

1H-indol-5-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185245
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670
9H-carbazol-3-yl-(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)methanone;(3-hydroxy-6-azabicyclo[3.2.1]octan-6-yl)-(9-methylcarbazol-3-yl)methanone
CID 160698902
[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3-methoxyphenyl)methanone
CID 95043086
[(3aS,6aR)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 110126454
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(3-propan-2-yl-1H-indol-5-yl)methanone
CID 158751762
[(3S,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone;hydrochloride
CID 171709329
6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 126811624
2-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-10H-acridin-9-one
CID 154840863
[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-[2-(1-methylpiperidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 155210909
3-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]isochromen-1-one
CID 154755476
6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N-oxo-9H-carbazole-4-carboxamide
CID 90376083

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone?
The IUPAC name of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone (CID 139458547) is [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone.
What is the SMILES notation for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone?
The canonical SMILES for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone is CN1C[C@@H]2CN(C(=O)c3ccc4[nH]c5ccccc5c4c3)C[C@@H]2C1.
What is the InChIKey of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone?
The InChIKey is UTZATOYJZNGCNY-GASCZTMLSA-N. The full InChI is InChI=1S/C20H21N3O/c1-22-9-14-11-23(12-15(14)10-22)20(24)13-6-7-19-17(8-13)16-4-2-3-5-18(16)21-19/h2-8,14-15,21H,9-12H2,1H3/t14-,15+.
What are the key properties of [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone?
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone has a molecular weight of 319.41 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(9H-carbazol-3-yl)methanone is sourced from PubChem (CID 139458547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).