2,5-dimethyl-3H-pyrrole

C6H9N — CID 20592628

IUPAC2,5-dimethyl-3H-pyrrole
SMILESCC1=CCC(C)=N1
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3
InChIKeyFZHMSVPYPPYTOC-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds

About 2,5-dimethyl-3H-pyrrole

2,5-dimethyl-3H-pyrrole (PubChem CID 20592628) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 2,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-3H-pyrrole
PubChem CID20592628
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name2,5-dimethyl-3H-pyrrole
SMILESCC1=CCC(C)=N1
InChIInChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3
InChIKeyFZHMSVPYPPYTOC-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,5-Tetramethylpyrrole
CID 13734873
2,7-dimethyl-3H-azepine
CID 21672375
5Hlutidine
CID 53805573
2-Fluoro-6-methyl-3,4-dihydropyridine
CID 117732618
3-Fluoro-2,6-dimethyl-3,4-dihydropyridine
CID 134593926
2-(Fluoromethyl)-6-methyl-3,4-dihydropyridine
CID 170610964
2-fluoro-5-methyl-3H-pyrrole
CID 173845770
6-Ethyl-2-fluoro-3,4-dihydropyridine
CID 176665644
5-tert-butyl-2-ethenyl-3H-pyrrole
CID 58263442
5-tert-butyl-2-methyl-3H-pyrrole
CID 58263517
2-methyl-5-(2-methylpropyl)-3H-pyrrole
CID 58333388
2-methyl-5-propan-2-yl-3H-pyrrole
CID 58477147

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3H-pyrrole?
The IUPAC name of 2,5-dimethyl-3H-pyrrole (CID 20592628) is 2,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 2,5-dimethyl-3H-pyrrole?
The canonical SMILES for 2,5-dimethyl-3H-pyrrole is CC1=CCC(C)=N1.
What is the InChIKey of 2,5-dimethyl-3H-pyrrole?
The InChIKey is FZHMSVPYPPYTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3H,4H2,1-2H3.
What are the key properties of 2,5-dimethyl-3H-pyrrole?
2,5-dimethyl-3H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 20592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).