4,5-dimethyl-2H-pyrrole

C6H9N — CID 21353924

IUPAC4,5-dimethyl-2H-pyrrole
SMILESCC1=CCN=C1C
InChIInChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,4H2,1-2H3
InChIKeyNBQMTXFVQKFZLD-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds

About 4,5-dimethyl-2H-pyrrole

4,5-dimethyl-2H-pyrrole (PubChem CID 21353924) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 4,5-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name4,5-dimethyl-2H-pyrrole
PubChem CID21353924
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name4,5-dimethyl-2H-pyrrole
SMILESCC1=CCN=C1C
InChIInChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,4H2,1-2H3
InChIKeyNBQMTXFVQKFZLD-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508
5-(2,2-difluoroethyl)-4-methyl-2H-pyrrole
CID 157205584
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
3-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 167682700
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
3,4,5-trimethyl-2H-pyrrole
CID 12554796
2,3-dimethyl-2H-pyrrole
CID 14938985

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2H-pyrrole?
The IUPAC name of 4,5-dimethyl-2H-pyrrole (CID 21353924) is 4,5-dimethyl-2H-pyrrole.
What is the SMILES notation for 4,5-dimethyl-2H-pyrrole?
The canonical SMILES for 4,5-dimethyl-2H-pyrrole is CC1=CCN=C1C.
What is the InChIKey of 4,5-dimethyl-2H-pyrrole?
The InChIKey is NBQMTXFVQKFZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-5-3-4-7-6(5)2/h3H,4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2H-pyrrole?
4,5-dimethyl-2H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2H-pyrrole is sourced from PubChem (CID 21353924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).