5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole

C14H18N2O2 — CID 82622777

IUPAC5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole
SMILESCOc1cc(OC)c2[nH]cc(C3CCCN3)c2c1
InChIInChI=1S/C14H18N2O2/c1-17-9-6-10-11(12-4-3-5-15-12)8-16-14(10)13(7-9)18-2/h6-8,12,15-16H,3-5H2,1-2H3
InChIKeyOTAVSJMWEKWZEW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.61
Rot. Bonds3

About 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole

5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole (PubChem CID 82622777) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole.

Molecular Properties

Compound Name5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole
PubChem CID82622777
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole
SMILESCOc1cc(OC)c2[nH]cc(C3CCCN3)c2c1
InChIInChI=1S/C14H18N2O2/c1-17-9-6-10-11(12-4-3-5-15-12)8-16-14(10)13(7-9)18-2/h6-8,12,15-16H,3-5H2,1-2H3
InChIKeyOTAVSJMWEKWZEW-UHFFFAOYSA-N
XLogP2.61
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
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2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
(2R)-2-(2-iodo-5-methoxyphenyl)pyrrolidine
CID 130676134
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
5,7-dimethoxy-1H-indol-3-amine
CID 82402843
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
6-methoxy-8-methyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84637119

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole?
The IUPAC name of 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole (CID 82622777) is 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole.
What is the SMILES notation for 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole?
The canonical SMILES for 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole is COc1cc(OC)c2[nH]cc(C3CCCN3)c2c1.
What is the InChIKey of 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole?
The InChIKey is OTAVSJMWEKWZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-9-6-10-11(12-4-3-5-15-12)8-16-14(10)13(7-9)18-2/h6-8,12,15-16H,3-5H2,1-2H3.
What are the key properties of 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole?
5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole has a molecular weight of 246.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-3-pyrrolidin-2-yl-1H-indole is sourced from PubChem (CID 82622777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).