2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid

C19H23N3O2 — CID 21251413

IUPAC2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid
SMILESCCn1c(CCC2CC(C)CN2C(=O)O)cc2ccc(C#N)cc21
InChIInChI=1S/C19H23N3O2/c1-3-21-17(10-15-5-4-14(11-20)9-18(15)21)7-6-16-8-13(2)12-22(16)19(23)24/h4-5,9-10,13,16H,3,6-8,12H2,1-2H3,(H,23,24)
InChIKeyFUHNFOCDTRXVTO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds4

About 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid

2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid (PubChem CID 21251413) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid
PubChem CID21251413
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid
SMILESCCn1c(CCC2CC(C)CN2C(=O)O)cc2ccc(C#N)cc21
InChIInChI=1S/C19H23N3O2/c1-3-21-17(10-15-5-4-14(11-20)9-18(15)21)7-6-16-8-13(2)12-22(16)19(23)24/h4-5,9-10,13,16H,3,6-8,12H2,1-2H3,(H,23,24)
InChIKeyFUHNFOCDTRXVTO-UHFFFAOYSA-N
XLogP3.85
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid (CID 21251413) is 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid is CCn1c(CCC2CC(C)CN2C(=O)O)cc2ccc(C#N)cc21.
What is the InChIKey of 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid?
The InChIKey is FUHNFOCDTRXVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-21-17(10-15-5-4-14(11-20)9-18(15)21)7-6-16-8-13(2)12-22(16)19(23)24/h4-5,9-10,13,16H,3,6-8,12H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid?
2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-cyano-1-ethylindol-2-yl)ethyl]-4-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 21251413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).