2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile

C14H16N4 — CID 67060658

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile
SMILESCn1c(N2CC[C@H](N)C2)c(C#N)c2ccccc21
InChIInChI=1S/C14H16N4/c1-17-13-5-3-2-4-11(13)12(8-15)14(17)18-7-6-10(16)9-18/h2-5,10H,6-7,9,16H2,1H3/t10-/m0/s1
InChIKeyQUZPLAFUEKPFMI-JTQLQIEISA-N
MW240.31 g/mol
LogP1.59
Rot. Bonds1

About 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile

2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile (PubChem CID 67060658) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile
PubChem CID67060658
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile
SMILESCn1c(N2CC[C@H](N)C2)c(C#N)c2ccccc21
InChIInChI=1S/C14H16N4/c1-17-13-5-3-2-4-11(13)12(8-15)14(17)18-7-6-10(16)9-18/h2-5,10H,6-7,9,16H2,1H3/t10-/m0/s1
InChIKeyQUZPLAFUEKPFMI-JTQLQIEISA-N
XLogP1.59
TPSA57.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile (CID 67060658) is 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile is Cn1c(N2CC[C@H](N)C2)c(C#N)c2ccccc21.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile?
The InChIKey is QUZPLAFUEKPFMI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4/c1-17-13-5-3-2-4-11(13)12(8-15)14(17)18-7-6-10(16)9-18/h2-5,10H,6-7,9,16H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile?
2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile is sourced from PubChem (CID 67060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).