2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one

C22H20N2O — CID 10314448

IUPAC2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one
SMILESCn1c2c(c3ccccc31)C1C(=O)N(Cc3ccccc3)CC1=CC2
InChIInChI=1S/C22H20N2O/c1-23-18-10-6-5-9-17(18)21-19(23)12-11-16-14-24(22(25)20(16)21)13-15-7-3-2-4-8-15/h2-11,20H,12-14H2,1H3
InChIKeyYNYMIOMGNXECFC-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.79
Rot. Bonds2

About 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one

2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one (PubChem CID 10314448) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one.

Molecular Properties

Compound Name2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one
PubChem CID10314448
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one
SMILESCn1c2c(c3ccccc31)C1C(=O)N(Cc3ccccc3)CC1=CC2
InChIInChI=1S/C22H20N2O/c1-23-18-10-6-5-9-17(18)21-19(23)12-11-16-14-24(22(25)20(16)21)13-15-7-3-2-4-8-15/h2-11,20H,12-14H2,1H3
InChIKeyYNYMIOMGNXECFC-UHFFFAOYSA-N
XLogP3.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
10-methyl-5,11-dihydroindolo[3,2-b][1]benzazepin-12-one
CID 10539412
4-(hydroxymethyl)-6-methyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione
CID 10308292
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680
(3R)-2-benzyl-3-(1,2-dimethylindol-3-yl)-3H-isoindol-1-one
CID 41031701
1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 146160440
[2-(hydroxymethyl)-4,9-dimethyl-3,4-dihydro-1H-carbazol-2-yl]methanol
CID 101402241
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one?
The IUPAC name of 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one (CID 10314448) is 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one.
What is the SMILES notation for 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one?
The canonical SMILES for 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one is Cn1c2c(c3ccccc31)C1C(=O)N(Cc3ccccc3)CC1=CC2.
What is the InChIKey of 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one?
The InChIKey is YNYMIOMGNXECFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-23-18-10-6-5-9-17(18)21-19(23)12-11-16-14-24(22(25)20(16)21)13-15-7-3-2-4-8-15/h2-11,20H,12-14H2,1H3.
What are the key properties of 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one?
2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one has a molecular weight of 328.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methyl-5,10c-dihydro-3H-pyrrolo[3,4-c]carbazol-1-one is sourced from PubChem (CID 10314448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).