methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate

C15H16N2O3 — CID 69359615

IUPACmethyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2=O)c2ccn(C)c2c1
InChIInChI=1S/C15H16N2O3/c1-16-7-5-11-12(16)8-10(15(19)20-2)9-13(11)17-6-3-4-14(17)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyNZBCCWQSKRMREK-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds2

About methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate

methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate (PubChem CID 69359615) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
PubChem CID69359615
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate
SMILESCOC(=O)c1cc(N2CCCC2=O)c2ccn(C)c2c1
InChIInChI=1S/C15H16N2O3/c1-16-7-5-11-12(16)8-10(15(19)20-2)9-13(11)17-6-3-4-14(17)18/h5,7-9H,3-4,6H2,1-2H3
InChIKeyNZBCCWQSKRMREK-UHFFFAOYSA-N
XLogP2.09
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-methoxycarbonyl-4-(2-oxopyrrolidin-1-yl)phenyl]boronic acid
CID 131865470
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
methyl 3-(ethylamino)-4-methyl-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69360163
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
methyl 4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 92686187
1-(1-methylindol-3-yl)pyrrolidin-2-one
CID 166081432
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103779
methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69360235
methyl 2-(2-oxopyrrolidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 166609003
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate?
The IUPAC name of methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate (CID 69359615) is methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate?
The canonical SMILES for methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate is COC(=O)c1cc(N2CCCC2=O)c2ccn(C)c2c1.
What is the InChIKey of methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate?
The InChIKey is NZBCCWQSKRMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-7-5-11-12(16)8-10(15(19)20-2)9-13(11)17-6-3-4-14(17)18/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate?
methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-(2-oxopyrrolidin-1-yl)indole-6-carboxylate is sourced from PubChem (CID 69359615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).