2-methylidenepyrrole;oxalonitrile

C7H5N3 — CID 174901329

IUPAC2-methylidenepyrrole;oxalonitrile
SMILESC=C1C=CC=N1.N#CC#N
InChIInChI=1S/C5H5N.C2N2/c1-5-3-2-4-6-5;3-1-2-4/h2-4H,1H2;
InChIKeyDWCNTRYWASCTIA-UHFFFAOYSA-N
MW131.14 g/mol
LogP1.17
Rot. Bonds

About 2-methylidenepyrrole;oxalonitrile

2-methylidenepyrrole;oxalonitrile (PubChem CID 174901329) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 2-methylidenepyrrole;oxalonitrile.

Molecular Properties

Compound Name2-methylidenepyrrole;oxalonitrile
PubChem CID174901329
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name2-methylidenepyrrole;oxalonitrile
SMILESC=C1C=CC=N1.N#CC#N
InChIInChI=1S/C5H5N.C2N2/c1-5-3-2-4-6-5;3-1-2-4/h2-4H,1H2;
InChIKeyDWCNTRYWASCTIA-UHFFFAOYSA-N
XLogP1.17
TPSA59.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepyrrole;oxalonitrile?
The IUPAC name of 2-methylidenepyrrole;oxalonitrile (CID 174901329) is 2-methylidenepyrrole;oxalonitrile.
What is the SMILES notation for 2-methylidenepyrrole;oxalonitrile?
The canonical SMILES for 2-methylidenepyrrole;oxalonitrile is C=C1C=CC=N1.N#CC#N.
What is the InChIKey of 2-methylidenepyrrole;oxalonitrile?
The InChIKey is DWCNTRYWASCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2N2/c1-5-3-2-4-6-5;3-1-2-4/h2-4H,1H2;.
What are the key properties of 2-methylidenepyrrole;oxalonitrile?
2-methylidenepyrrole;oxalonitrile has a molecular weight of 131.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepyrrole;oxalonitrile is sourced from PubChem (CID 174901329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).