2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile

C8H11N3 — CID 115130011

IUPAC2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
SMILESCC(C#N)N(C)c1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-7(6-9)11(2)8-4-3-5-10-8/h3-5,7,10H,1-2H3
InChIKeyQPEPXTWUXWBZTK-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.36
Rot. Bonds2

About 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile

2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile (PubChem CID 115130011) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
PubChem CID115130011
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
SMILESCC(C#N)N(C)c1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-7(6-9)11(2)8-4-3-5-10-8/h3-5,7,10H,1-2H3
InChIKeyQPEPXTWUXWBZTK-UHFFFAOYSA-N
XLogP1.36
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
2-[methyl(1H-pyrrol-2-ylmethyl)amino]propanenitrile
CID 115130274
2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
2-(N-methyl-4-phenylanilino)propanenitrile
CID 115129991
2-(N,2,4-trimethylanilino)propanenitrile
CID 115129965
2-(2,4-difluoro-N-methylanilino)propanenitrile
CID 115130007
2-methylsulfanyl-2-(1H-pyrrol-2-yl)acetonitrile
CID 10397008
2-(4-ethyl-N-methylanilino)propanenitrile
CID 115129945
2-(2-oxo-1H-pyridin-3-yl)propanenitrile
CID 171567137
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
N,N-dimethyl-1H-pyrrol-2-amine;pyridine
CID 174798195

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile?
The IUPAC name of 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile (CID 115130011) is 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile?
The canonical SMILES for 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile is CC(C#N)N(C)c1ccc[nH]1.
What is the InChIKey of 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile?
The InChIKey is QPEPXTWUXWBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-7(6-9)11(2)8-4-3-5-10-8/h3-5,7,10H,1-2H3.
What are the key properties of 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile?
2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile has a molecular weight of 149.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile is sourced from PubChem (CID 115130011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).