2-methylidenepyrrole

C5H5N — CID 66958297

IUPAC2-methylidenepyrrole
SMILESC=C1C=CC=N1
InChIInChI=1S/C5H5N/c1-5-3-2-4-6-5/h2-4H,1H2
InChIKeyLVFHXTSDKGRPEJ-UHFFFAOYSA-N
MW79.10 g/mol
LogP1.14
Rot. Bonds

About 2-methylidenepyrrole

2-methylidenepyrrole (PubChem CID 66958297) has the molecular formula C5H5N and a molecular weight of 79.10 g/mol. Its IUPAC name is 2-methylidenepyrrole.

Molecular Properties

Compound Name2-methylidenepyrrole
PubChem CID66958297
Molecular FormulaC5H5N
Molecular Weight79.10 g/mol
Exact Mass79.04
IUPAC Name2-methylidenepyrrole
SMILESC=C1C=CC=N1
InChIInChI=1S/C5H5N/c1-5-3-2-4-6-5/h2-4H,1H2
InChIKeyLVFHXTSDKGRPEJ-UHFFFAOYSA-N
XLogP1.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50079.10
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepyrrole?
The IUPAC name of 2-methylidenepyrrole (CID 66958297) is 2-methylidenepyrrole.
What is the SMILES notation for 2-methylidenepyrrole?
The canonical SMILES for 2-methylidenepyrrole is C=C1C=CC=N1.
What is the InChIKey of 2-methylidenepyrrole?
The InChIKey is LVFHXTSDKGRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-5-3-2-4-6-5/h2-4H,1H2.
What are the key properties of 2-methylidenepyrrole?
2-methylidenepyrrole has a molecular weight of 79.10 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepyrrole is sourced from PubChem (CID 66958297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).