2-methyl-4,5-dimethylidene-3H-pyrrole

C7H9N — CID 91221371

IUPAC2-methyl-4,5-dimethylidene-3H-pyrrole
SMILESC=C1CC(C)=NC1=C
InChIInChI=1S/C7H9N/c1-5-4-6(2)8-7(5)3/h1,3-4H2,2H3
InChIKeyAXGOCFZUWHFNAF-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.92
Rot. Bonds

About 2-methyl-4,5-dimethylidene-3H-pyrrole

2-methyl-4,5-dimethylidene-3H-pyrrole (PubChem CID 91221371) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 2-methyl-4,5-dimethylidene-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-4,5-dimethylidene-3H-pyrrole
PubChem CID91221371
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name2-methyl-4,5-dimethylidene-3H-pyrrole
SMILESC=C1CC(C)=NC1=C
InChIInChI=1S/C7H9N/c1-5-4-6(2)8-7(5)3/h1,3-4H2,2H3
InChIKeyAXGOCFZUWHFNAF-UHFFFAOYSA-N
XLogP1.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dimethylidene-3H-pyrrole?
The IUPAC name of 2-methyl-4,5-dimethylidene-3H-pyrrole (CID 91221371) is 2-methyl-4,5-dimethylidene-3H-pyrrole.
What is the SMILES notation for 2-methyl-4,5-dimethylidene-3H-pyrrole?
The canonical SMILES for 2-methyl-4,5-dimethylidene-3H-pyrrole is C=C1CC(C)=NC1=C.
What is the InChIKey of 2-methyl-4,5-dimethylidene-3H-pyrrole?
The InChIKey is AXGOCFZUWHFNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-5-4-6(2)8-7(5)3/h1,3-4H2,2H3.
What are the key properties of 2-methyl-4,5-dimethylidene-3H-pyrrole?
2-methyl-4,5-dimethylidene-3H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dimethylidene-3H-pyrrole is sourced from PubChem (CID 91221371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).