2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile

C16H17N3O — CID 50915931

IUPAC2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile
SMILESCc1c(C#N)c2ccccn2c1C(C)N1CCCC1=O
InChIInChI=1S/C16H17N3O/c1-11-13(10-17)14-6-3-4-8-19(14)16(11)12(2)18-9-5-7-15(18)20/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyRUZDCZZAFIMEDX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile

2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile (PubChem CID 50915931) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile
PubChem CID50915931
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile
SMILESCc1c(C#N)c2ccccn2c1C(C)N1CCCC1=O
InChIInChI=1S/C16H17N3O/c1-11-13(10-17)14-6-3-4-8-19(14)16(11)12(2)18-9-5-7-15(18)20/h3-4,6,8,12H,5,7,9H2,1-2H3
InChIKeyRUZDCZZAFIMEDX-UHFFFAOYSA-N
XLogP2.80
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile?
The IUPAC name of 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile (CID 50915931) is 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile is Cc1c(C#N)c2ccccn2c1C(C)N1CCCC1=O.
What is the InChIKey of 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile?
The InChIKey is RUZDCZZAFIMEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-13(10-17)14-6-3-4-8-19(14)16(11)12(2)18-9-5-7-15(18)20/h3-4,6,8,12H,5,7,9H2,1-2H3.
What are the key properties of 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile?
2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(2-oxopyrrolidin-1-yl)ethyl]indolizine-1-carbonitrile is sourced from PubChem (CID 50915931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).