1-methyl-2,5-dimethylidenepyrrole

C7H9N — CID 23381921

IUPAC1-methyl-2,5-dimethylidenepyrrole
SMILESC=c1ccc(=C)n1C
InChIInChI=1S/C7H9N/c1-6-4-5-7(2)8(6)3/h4-5H,1-2H2,3H3
InChIKeyWZRMCSOGHQLRCW-UHFFFAOYSA-N
MW107.16 g/mol
LogP-0.15
Rot. Bonds

About 1-methyl-2,5-dimethylidenepyrrole

1-methyl-2,5-dimethylidenepyrrole (PubChem CID 23381921) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 1-methyl-2,5-dimethylidenepyrrole.

Molecular Properties

Compound Name1-methyl-2,5-dimethylidenepyrrole
PubChem CID23381921
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name1-methyl-2,5-dimethylidenepyrrole
SMILESC=c1ccc(=C)n1C
InChIInChI=1S/C7H9N/c1-6-4-5-7(2)8(6)3/h4-5H,1-2H2,3H3
InChIKeyWZRMCSOGHQLRCW-UHFFFAOYSA-N
XLogP-0.15
TPSA4.93 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 ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[p-(Dimethylamino)phenyl]lithium
CID 83217
Lithium 2-(dimethylamino)benzen-1-ide
CID 12620685
N-methyl-2-methylidenepyridine
CID 14963017
N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 17775259
1,2,7-Trimethylazepine
CID 21766428
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
3-Dimethylaminophenylsodium
CID 137350226
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
CID 123814892
2-Fluoro-1-methyl-6-methylidenepyridine
CID 142198451
(3E)-5-fluoro-N,N-dimethylhexa-1,3,5-trien-3-amine
CID 145466323
(3Z,5E)-6-fluoro-N,N-dimethylhepta-1,3,5-trien-2-amine
CID 156542875
zinc;N,N-dimethylaniline;ethane
CID 44249564

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-dimethylidenepyrrole?
The IUPAC name of 1-methyl-2,5-dimethylidenepyrrole (CID 23381921) is 1-methyl-2,5-dimethylidenepyrrole.
What is the SMILES notation for 1-methyl-2,5-dimethylidenepyrrole?
The canonical SMILES for 1-methyl-2,5-dimethylidenepyrrole is C=c1ccc(=C)n1C.
What is the InChIKey of 1-methyl-2,5-dimethylidenepyrrole?
The InChIKey is WZRMCSOGHQLRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-6-4-5-7(2)8(6)3/h4-5H,1-2H2,3H3.
What are the key properties of 1-methyl-2,5-dimethylidenepyrrole?
1-methyl-2,5-dimethylidenepyrrole has a molecular weight of 107.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-dimethylidenepyrrole is sourced from PubChem (CID 23381921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).