5-ethenyl-3-methyl-2H-pyrrole

C7H9N — CID 20774315

IUPAC5-ethenyl-3-methyl-2H-pyrrole
SMILESC=CC1=NCC(C)=C1
InChIInChI=1S/C7H9N/c1-3-7-4-6(2)5-8-7/h3-4H,1,5H2,2H3
InChIKeyKSUJPHPWGNFSSM-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds1

About 5-ethenyl-3-methyl-2H-pyrrole

5-ethenyl-3-methyl-2H-pyrrole (PubChem CID 20774315) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 5-ethenyl-3-methyl-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-3-methyl-2H-pyrrole
PubChem CID20774315
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name5-ethenyl-3-methyl-2H-pyrrole
SMILESC=CC1=NCC(C)=C1
InChIInChI=1S/C7H9N/c1-3-7-4-6(2)5-8-7/h3-4H,1,5H2,2H3
InChIKeyKSUJPHPWGNFSSM-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
2,3-dimethyl-5-(trifluoromethyl)-2H-pyrrole
CID 138509508
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
2,2,3,5-tetramethyl-2H-pyrrole
CID 14342946
3-methyl-5-(trifluoromethyl)-2H-pyrrole
CID 167682700
CID 11138473
CID 11138473
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
N-methylpent-3-en-2-imine
CID 15325554
5-propan-2-yl-2H-pyrrole
CID 18736790

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-methyl-2H-pyrrole?
The IUPAC name of 5-ethenyl-3-methyl-2H-pyrrole (CID 20774315) is 5-ethenyl-3-methyl-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-3-methyl-2H-pyrrole?
The canonical SMILES for 5-ethenyl-3-methyl-2H-pyrrole is C=CC1=NCC(C)=C1.
What is the InChIKey of 5-ethenyl-3-methyl-2H-pyrrole?
The InChIKey is KSUJPHPWGNFSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-3-7-4-6(2)5-8-7/h3-4H,1,5H2,2H3.
What are the key properties of 5-ethenyl-3-methyl-2H-pyrrole?
5-ethenyl-3-methyl-2H-pyrrole has a molecular weight of 107.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-methyl-2H-pyrrole is sourced from PubChem (CID 20774315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).