2-(5-methyl-1H-pyrrol-2-yl)acetonitrile

C7H8N2 — CID 84762124

IUPAC2-(5-methyl-1H-pyrrol-2-yl)acetonitrile
SMILESCc1ccc(CC#N)[nH]1
InChIInChI=1S/C7H8N2/c1-6-2-3-7(9-6)4-5-8/h2-3,9H,4H2,1H3
InChIKeyKRYQQZZKNKPJDO-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.39
Rot. Bonds1

About 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile

2-(5-methyl-1H-pyrrol-2-yl)acetonitrile (PubChem CID 84762124) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrrol-2-yl)acetonitrile
PubChem CID84762124
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name2-(5-methyl-1H-pyrrol-2-yl)acetonitrile
SMILESCc1ccc(CC#N)[nH]1
InChIInChI=1S/C7H8N2/c1-6-2-3-7(9-6)4-5-8/h2-3,9H,4H2,1H3
InChIKeyKRYQQZZKNKPJDO-UHFFFAOYSA-N
XLogP1.39
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile?
The IUPAC name of 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile (CID 84762124) is 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile.
What is the SMILES notation for 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile?
The canonical SMILES for 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile is Cc1ccc(CC#N)[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile?
The InChIKey is KRYQQZZKNKPJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-2-3-7(9-6)4-5-8/h2-3,9H,4H2,1H3.
What are the key properties of 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile?
2-(5-methyl-1H-pyrrol-2-yl)acetonitrile has a molecular weight of 120.15 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrrol-2-yl)acetonitrile is sourced from PubChem (CID 84762124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).