5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

C15H22N2O2 — CID 103534936

IUPAC5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOC1CN(Cc2ccc3c(c2)CCN3)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-13-12(7-11)5-6-16-13/h3-4,7,14-16H,5-6,8-10H2,1-2H3
InChIKeyGIKVTQPPZDQVIZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds4

About 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 103534936) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID103534936
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOC1CN(Cc2ccc3c(c2)CCN3)CC1OC
InChIInChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-13-12(7-11)5-6-16-13/h3-4,7,14-16H,5-6,8-10H2,1-2H3
InChIKeyGIKVTQPPZDQVIZ-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-isoindole
CID 103534857
5-[(4-tert-butylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 62084010
3-(2,3-dihydro-1H-indol-5-ylmethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165389
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 43581612
methyl 2-(2,3-dihydro-1H-indol-5-yl)acetate
CID 10888757
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
7-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 102963359
4-(2,3-dihydro-1H-indol-5-ylmethyl)-1,4-thiazepane
CID 61419750
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 43584640

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 103534936) is 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is COC1CN(Cc2ccc3c(c2)CCN3)CC1OC.
What is the InChIKey of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is GIKVTQPPZDQVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-14-9-17(10-15(14)19-2)8-11-3-4-13-12(7-11)5-6-16-13/h3-4,7,14-16H,5-6,8-10H2,1-2H3.
What are the key properties of 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole?
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 262.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 103534936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).