methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate

C15H16N2O3 — CID 79035876

IUPACmethyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)11-6-8-17(9-11)14(18)12-4-2-3-10-5-7-16-13(10)12/h2-5,7,11,16H,6,8-9H2,1H3
InChIKeyVLBXYXIKADLPOO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.80
Rot. Bonds2

About methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 79035876) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
PubChem CID79035876
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)11-6-8-17(9-11)14(18)12-4-2-3-10-5-7-16-13(10)12/h2-5,7,11,16H,6,8-9H2,1H3
InChIKeyVLBXYXIKADLPOO-UHFFFAOYSA-N
XLogP1.80
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 113226241
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
(2-ethylthiomorpholin-4-yl)-(1H-indol-7-yl)methanone
CID 115661617
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 97235875
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
1H-indol-7-yl-(2-methylthiomorpholin-4-yl)methanone
CID 113244798
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919707
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
methyl 1-(2-nitrobenzoyl)pyrrolidine-3-carboxylate
CID 47340240

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate (CID 79035876) is methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cccc3cc[nH]c23)C1.
What is the InChIKey of methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is VLBXYXIKADLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-15(19)11-6-8-17(9-11)14(18)12-4-2-3-10-5-7-16-13(10)12/h2-5,7,11,16H,6,8-9H2,1H3.
What are the key properties of methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 79035876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).