5-ethenyl-2H-pyrrole

C6H7N — CID 155698832

IUPAC5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC=C1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-4H,1,5H2
InChIKeyNWPOXGKEXIAYLQ-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.18
Rot. Bonds1

About 5-ethenyl-2H-pyrrole

5-ethenyl-2H-pyrrole (PubChem CID 155698832) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is 5-ethenyl-2H-pyrrole.

Molecular Properties

Compound Name5-ethenyl-2H-pyrrole
PubChem CID155698832
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Name5-ethenyl-2H-pyrrole
SMILESC=CC1=NCC=C1
InChIInChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-4H,1,5H2
InChIKeyNWPOXGKEXIAYLQ-UHFFFAOYSA-N
XLogP1.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
2-methyl-2H-pyrrole
CID 18970006
2,5-Dimethyl-2H-pyrrole
CID 21811124
5-(trifluoromethyl)-2H-pyrrole
CID 58924994
5-(difluoromethyl)-2H-pyrrole
CID 174763302
4-fluoro-5-methyl-2H-pyrrole
CID 165078351
CID 11138473
CID 11138473
N-methylcyclopenta-2,4-dien-1-imine
CID 14340288
N-methylpent-3-en-2-imine
CID 15325554
3,5-dimethyl-2H-pyrrole
CID 20653105
5-ethyl-2H-pyrrole
CID 20725724
1,2,5-trimethyl-2H-pyrrol-1-ium
CID 20749699

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2H-pyrrole?
The IUPAC name of 5-ethenyl-2H-pyrrole (CID 155698832) is 5-ethenyl-2H-pyrrole.
What is the SMILES notation for 5-ethenyl-2H-pyrrole?
The canonical SMILES for 5-ethenyl-2H-pyrrole is C=CC1=NCC=C1.
What is the InChIKey of 5-ethenyl-2H-pyrrole?
The InChIKey is NWPOXGKEXIAYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c1-2-6-4-3-5-7-6/h2-4H,1,5H2.
What are the key properties of 5-ethenyl-2H-pyrrole?
5-ethenyl-2H-pyrrole has a molecular weight of 93.13 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2H-pyrrole is sourced from PubChem (CID 155698832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).