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

C7H9N3 — CID 115130858

IUPAC2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
SMILESCN(CC#N)c1ccc[nH]1
InChIInChI=1S/C7H9N3/c1-10(6-4-8)7-3-2-5-9-7/h2-3,5,9H,6H2,1H3
InChIKeyYMRBJQFERLCRNR-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.97
Rot. Bonds2

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

2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile (PubChem CID 115130858) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
PubChem CID115130858
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
SMILESCN(CC#N)c1ccc[nH]1
InChIInChI=1S/C7H9N3/c1-10(6-4-8)7-3-2-5-9-7/h2-3,5,9H,6H2,1H3
InChIKeyYMRBJQFERLCRNR-UHFFFAOYSA-N
XLogP0.97
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
3-[[methyl(1H-pyrrol-2-yl)amino]methyl]oxetane-3-carbonitrile
CID 115247892
N-(3-chloropropyl)-N-methyl-1H-pyrrol-2-amine
CID 115215519
2-[methyl(1H-pyrrol-2-yl)amino]propanenitrile
CID 115130011
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
N-methyl-N-[[4-(methylamino)phenyl]methyl]-1H-pyrrol-2-amine
CID 115212707
N-ethyl-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine;titanium
CID 87971056
(E)-4-[methyl(1H-pyrrol-2-yl)amino]but-2-enoic acid
CID 115237006
2-(N-methyl-4-phenylanilino)acetonitrile
CID 115130840
3-methyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115219832
3,3-dimethyl-4-[methyl(1H-pyrrol-2-yl)amino]butanoic acid
CID 115220280

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile?
The IUPAC name of 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile (CID 115130858) is 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile is CN(CC#N)c1ccc[nH]1.
What is the InChIKey of 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile?
The InChIKey is YMRBJQFERLCRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-10(6-4-8)7-3-2-5-9-7/h2-3,5,9H,6H2,1H3.
What are the key properties of 2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile?
2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.97, 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]acetonitrile is sourced from PubChem (CID 115130858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).