2-methyl-5-methylidenepyrrole

C6H7N — CID 15825887

IUPAC2-methyl-5-methylidenepyrrole
SMILESC=C1C=CC(C)=N1
InChIInChI=1S/C6H7N/c1-5-3-4-6(2)7-5/h3-4H,1H2,2H3
InChIKeyHJODRFNHLHRDEA-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.53
Rot. Bonds

About 2-methyl-5-methylidenepyrrole

2-methyl-5-methylidenepyrrole (PubChem CID 15825887) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 2-methyl-5-methylidenepyrrole.

Molecular Properties

Compound Name2-methyl-5-methylidenepyrrole
PubChem CID15825887
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name2-methyl-5-methylidenepyrrole
SMILESC=C1C=CC(C)=N1
InChIInChI=1S/C6H7N/c1-5-3-4-6(2)7-5/h3-4H,1H2,2H3
InChIKeyHJODRFNHLHRDEA-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylidenepyrrole?
The IUPAC name of 2-methyl-5-methylidenepyrrole (CID 15825887) is 2-methyl-5-methylidenepyrrole.
What is the SMILES notation for 2-methyl-5-methylidenepyrrole?
The canonical SMILES for 2-methyl-5-methylidenepyrrole is C=C1C=CC(C)=N1.
What is the InChIKey of 2-methyl-5-methylidenepyrrole?
The InChIKey is HJODRFNHLHRDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-5-3-4-6(2)7-5/h3-4H,1H2,2H3.
What are the key properties of 2-methyl-5-methylidenepyrrole?
2-methyl-5-methylidenepyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylidenepyrrole is sourced from PubChem (CID 15825887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).