2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C21H24N2O3 — CID 99818768

IUPAC2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)cc([C@H]2CCN(C(=O)N3CCc4ccccc43)C2)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-11-17(12-19(13-18)26-2)16-7-9-22(14-16)21(24)23-10-8-15-5-3-4-6-20(15)23/h3-6,11-13,16H,7-10,14H2,1-2H3/t16-/m0/s1
InChIKeyCCCOJBDDKLJROF-INIZCTEOSA-N
MW352.43 g/mol
LogP3.68
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone

2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 99818768) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID99818768
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cc(OC)cc([C@H]2CCN(C(=O)N3CCc4ccccc43)C2)c1
InChIInChI=1S/C21H24N2O3/c1-25-18-11-17(12-19(13-18)26-2)16-7-9-22(14-16)21(24)23-10-8-15-5-3-4-6-20(15)23/h3-6,11-13,16H,7-10,14H2,1-2H3/t16-/m0/s1
InChIKeyCCCOJBDDKLJROF-INIZCTEOSA-N
XLogP3.68
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731841
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111731813
2,3-dihydroindol-1-yl-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 112824456
cis-(1S,2R)-2-(2,3-dihydroindole-1-carbonyl)-N-(3,5-dimethoxyphenyl)cyclohexane-1-carboxamide
CID 30880312
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
N-[(3R)-1-(2,3-dihydroindole-1-carbonyl)piperidin-3-yl]methanesulfonamide
CID 124861937
2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 99814553
3,4-dihydro-2H-quinolin-1-yl-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 24896062
1-(2,3-dihydroindol-1-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethane-1,2-dione
CID 108986301
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethoxybenzoate
CID 16523585

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 99818768) is 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1cc(OC)cc([C@H]2CCN(C(=O)N3CCc4ccccc43)C2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CCCOJBDDKLJROF-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-11-17(12-19(13-18)26-2)16-7-9-22(14-16)21(24)23-10-8-15-5-3-4-6-20(15)23/h3-6,11-13,16H,7-10,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99818768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).