1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C22H22N2O4 — CID 112835693

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCCO4)C1)CC2
InChIInChI=1S/C22H22N2O4/c1-14-3-2-4-15-7-8-23(21(14)15)22(26)16-11-20(25)24(13-16)17-5-6-18-19(12-17)28-10-9-27-18/h2-6,12,16H,7-11,13H2,1H3
InChIKeyHLRNHBXSZRDEOV-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.71
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 112835693) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID112835693
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESCc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCCO4)C1)CC2
InChIInChI=1S/C22H22N2O4/c1-14-3-2-4-15-7-8-23(21(14)15)22(26)16-11-20(25)24(13-16)17-5-6-18-19(12-17)28-10-9-27-18/h2-6,12,16H,7-11,13H2,1H3
InChIKeyHLRNHBXSZRDEOV-UHFFFAOYSA-N
XLogP2.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-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

(4R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9151609
1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 43066707
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879370
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
(2S)-4-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 37009583
4-(4-aminopiperidine-1-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one;hydrochloride
CID 119373957
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 119410414
(3-methylphenyl) (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 7741197
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[2-(2-methylphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 41135075
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 4567433
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2091453
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 112835693) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is Cc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc4c(c3)OCCO4)C1)CC2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HLRNHBXSZRDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-3-2-4-15-7-8-23(21(14)15)22(26)16-11-20(25)24(13-16)17-5-6-18-19(12-17)28-10-9-27-18/h2-6,12,16H,7-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(7-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 112835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).