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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Related Compounds

(2S)-2-[[(3S)-1-(3-cyano-1-methylindol-2-yl)pyrrolidin-3-yl]amino]propanamide
CID 67060652
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
CID 23079907
2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
1-(1-methylindazol-3-yl)pyrrolidin-3-amine
CID 83835920
2-[(3R)-3-aminopyrrolidin-1-yl]-6-fluorobenzonitrile
CID 94340829
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455
6-(3-aminopiperidin-1-yl)-5-benzyl-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidine-7-carbonitrile;hydrochloride
CID 68966308
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile
CID 1088159
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
[[1-(3-cyano-1-methyl-2-oxoquinolin-4-yl)piperidin-4-yl]amino]methyl thiocyanate
CID 89052599

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).