2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate

C17H22N2O2 — CID 118218591

IUPAC2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
SMILESCN1CCCC1CCOC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H22N2O2/c1-18-10-5-6-13(18)9-11-21-17(20)15-12-19(2)16-8-4-3-7-14(15)16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3
InChIKeyABODTGFELVOGNW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.82
Rot. Bonds4

About 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate

2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate (PubChem CID 118218591) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
PubChem CID118218591
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate
SMILESCN1CCCC1CCOC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C17H22N2O2/c1-18-10-5-6-13(18)9-11-21-17(20)15-12-19(2)16-8-4-3-7-14(15)16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3
InChIKeyABODTGFELVOGNW-UHFFFAOYSA-N
XLogP2.82
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxycyclohexyl)methyl 1-methylindole-3-carboxylate
CID 140552406
hexyl 1-methylindole-3-carboxylate
CID 135057842
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
(6,6-difluoro-5-methylhex-5-enyl) 1-methylindole-3-carboxylate
CID 23020206
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
chloro 1-methylindole-3-carboxylate
CID 69132264

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate (CID 118218591) is 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate is CN1CCCC1CCOC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate?
The InChIKey is ABODTGFELVOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-10-5-6-13(18)9-11-21-17(20)15-12-19(2)16-8-4-3-7-14(15)16/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3.
What are the key properties of 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate?
2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)ethyl 1-methylindole-3-carboxylate is sourced from PubChem (CID 118218591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).