3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

C15H22N2O2 — CID 103534870

IUPAC3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOC1CN(CC2CNc3ccccc32)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-7-16-13-6-4-3-5-12(11)13/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyZZVKZSHBNVCBHH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.54
Rot. Bonds4

About 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 103534870) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID103534870
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOC1CN(CC2CNc3ccccc32)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-7-16-13-6-4-3-5-12(11)13/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyZZVKZSHBNVCBHH-UHFFFAOYSA-N
XLogP1.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 103534870) is 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is COC1CN(CC2CNc3ccccc32)CC1OC.
What is the InChIKey of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is ZZVKZSHBNVCBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-7-16-13-6-4-3-5-12(11)13/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 262.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 103534870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).