2-methyl-5-methylidenepyrrole-3-carbonitrile

C7H6N2 — CID 163558875

IUPAC2-methyl-5-methylidenepyrrole-3-carbonitrile
SMILESC=C1C=C(C#N)C(C)=N1
InChIInChI=1S/C7H6N2/c1-5-3-7(4-8)6(2)9-5/h3H,1H2,2H3
InChIKeyFPLYDNZDWSDWSD-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.42
Rot. Bonds

About 2-methyl-5-methylidenepyrrole-3-carbonitrile

2-methyl-5-methylidenepyrrole-3-carbonitrile (PubChem CID 163558875) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-methyl-5-methylidenepyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-methylidenepyrrole-3-carbonitrile
PubChem CID163558875
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name2-methyl-5-methylidenepyrrole-3-carbonitrile
SMILESC=C1C=C(C#N)C(C)=N1
InChIInChI=1S/C7H6N2/c1-5-3-7(4-8)6(2)9-5/h3H,1H2,2H3
InChIKeyFPLYDNZDWSDWSD-UHFFFAOYSA-N
XLogP1.42
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidenepyrrole-3-carbonitrile?
The IUPAC name of 2-methyl-5-methylidenepyrrole-3-carbonitrile (CID 163558875) is 2-methyl-5-methylidenepyrrole-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-methylidenepyrrole-3-carbonitrile?
The canonical SMILES for 2-methyl-5-methylidenepyrrole-3-carbonitrile is C=C1C=C(C#N)C(C)=N1.
What is the InChIKey of 2-methyl-5-methylidenepyrrole-3-carbonitrile?
The InChIKey is FPLYDNZDWSDWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-5-3-7(4-8)6(2)9-5/h3H,1H2,2H3.
What are the key properties of 2-methyl-5-methylidenepyrrole-3-carbonitrile?
2-methyl-5-methylidenepyrrole-3-carbonitrile has a molecular weight of 118.14 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenepyrrole-3-carbonitrile is sourced from PubChem (CID 163558875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).