2-(1H-pyrrol-2-yl)acetonitrile

C6H6N2 — CID 13067931

IUPAC2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CCc1ccc[nH]1
InChIInChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2
InChIKeyMKVATVUOVMCHJJ-UHFFFAOYSA-N
MW106.13 g/mol
LogP1.08
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)acetonitrile

2-(1H-pyrrol-2-yl)acetonitrile (PubChem CID 13067931) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)acetonitrile
PubChem CID13067931
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name2-(1H-pyrrol-2-yl)acetonitrile
SMILESN#CCc1ccc[nH]1
InChIInChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2
InChIKeyMKVATVUOVMCHJJ-UHFFFAOYSA-N
XLogP1.08
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Pyridine-2-carbonitrile
CID 7522
2-Methylpyrrole
CID 12489
2,4-Dimethylpyrrole
CID 39539
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
Pyridine-2-acetonitrile
CID 75959
Pyrrole-2-carbonitrile
CID 138277
1-Methylpyrrole-2-carbonitrile
CID 2064111
2-Ethylpyrrole
CID 137075
methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
CID 1096385
2-(Pyrrolidin-2-yl)pyridine
CID 2771659
Dipyrromethane
CID 140814
(1-methyl-1H-pyrrol-2-yl)methanamine
CID 2776207

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(1H-pyrrol-2-yl)acetonitrile (CID 13067931) is 2-(1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(1H-pyrrol-2-yl)acetonitrile is N#CCc1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)acetonitrile?
The InChIKey is MKVATVUOVMCHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c7-4-3-6-2-1-5-8-6/h1-2,5,8H,3H2.
What are the key properties of 2-(1H-pyrrol-2-yl)acetonitrile?
2-(1H-pyrrol-2-yl)acetonitrile has a molecular weight of 106.13 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 13067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).