methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate

C16H18N2O3 — CID 168694187

IUPACmethyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)12-9-15(19)18(10-12)7-6-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyBSQNMJZUYZWFAA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.73
Rot. Bonds4

About methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate

methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694187) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID168694187
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2cc3ccccc3[nH]2)C1
InChIInChI=1S/C16H18N2O3/c1-21-16(20)12-9-15(19)18(10-12)7-6-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyBSQNMJZUYZWFAA-UHFFFAOYSA-N
XLogP1.73
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168700196
methyl 1-[2-(1-benzothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694189
4-(aminomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168660253
methyl 5-oxo-1-(2-quinolin-3-ylethyl)pyrrolidine-3-carboxylate
CID 168694192
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
4-(azidomethyl)-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168657252
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
methyl 1-[2-(1,3-benzothiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694225
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
(3-methoxycarbonylnaphthalen-2-yl) 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 55337985

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate (CID 168694187) is methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCc2cc3ccccc3[nH]2)C1.
What is the InChIKey of methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BSQNMJZUYZWFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-16(20)12-9-15(19)18(10-12)7-6-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,17H,6-7,9-10H2,1H3.
What are the key properties of methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(1H-indol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).