2H-pyrrole-5-carbonitrile

C5H4N2 — CID 119084875

IUPAC2H-pyrrole-5-carbonitrile
SMILESN#CC1=NCC=C1
InChIInChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-2H,3H2
InChIKeyOPTHPXXRPWGUPY-UHFFFAOYSA-N
MW92.10 g/mol
LogP0.52
Rot. Bonds

About 2H-pyrrole-5-carbonitrile

2H-pyrrole-5-carbonitrile (PubChem CID 119084875) has the molecular formula C5H4N2 and a molecular weight of 92.10 g/mol. Its IUPAC name is 2H-pyrrole-5-carbonitrile.

Molecular Properties

Compound Name2H-pyrrole-5-carbonitrile
PubChem CID119084875
Molecular FormulaC5H4N2
Molecular Weight92.10 g/mol
Exact Mass92.04
IUPAC Name2H-pyrrole-5-carbonitrile
SMILESN#CC1=NCC=C1
InChIInChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-2H,3H2
InChIKeyOPTHPXXRPWGUPY-UHFFFAOYSA-N
XLogP0.52
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.10
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrrole-5-carbonitrile?
The IUPAC name of 2H-pyrrole-5-carbonitrile (CID 119084875) is 2H-pyrrole-5-carbonitrile.
What is the SMILES notation for 2H-pyrrole-5-carbonitrile?
The canonical SMILES for 2H-pyrrole-5-carbonitrile is N#CC1=NCC=C1.
What is the InChIKey of 2H-pyrrole-5-carbonitrile?
The InChIKey is OPTHPXXRPWGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2/c6-4-5-2-1-3-7-5/h1-2H,3H2.
What are the key properties of 2H-pyrrole-5-carbonitrile?
2H-pyrrole-5-carbonitrile has a molecular weight of 92.10 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrrole-5-carbonitrile is sourced from PubChem (CID 119084875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).