5-ethyl-2H-pyrrole

C6H9N — CID 20725724

IUPAC5-ethyl-2H-pyrrole
SMILESCCC1=NCC=C1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-4H,2,5H2,1H3
InChIKeyDFJAJPWDTLFRMC-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds1

About 5-ethyl-2H-pyrrole

5-ethyl-2H-pyrrole (PubChem CID 20725724) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 5-ethyl-2H-pyrrole.

Molecular Properties

Compound Name5-ethyl-2H-pyrrole
PubChem CID20725724
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name5-ethyl-2H-pyrrole
SMILESCCC1=NCC=C1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-4H,2,5H2,1H3
InChIKeyDFJAJPWDTLFRMC-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
5-(2,2-difluoroethyl)-2H-pyrrole
CID 142793317
5-(1-fluoroethyl)-4-methyl-2H-pyrrole
CID 160626280
2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
CID 170447003
5-(1,1-difluoroethyl)-2H-pyrrole
CID 145200832
2-ethyl-5-(trifluoromethyl)-2H-pyrrole
CID 147036435
CID 11138473
CID 11138473
N-methylcyclohexa-2,4-dien-1-imine
CID 14398595

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2H-pyrrole?
The IUPAC name of 5-ethyl-2H-pyrrole (CID 20725724) is 5-ethyl-2H-pyrrole.
What is the SMILES notation for 5-ethyl-2H-pyrrole?
The canonical SMILES for 5-ethyl-2H-pyrrole is CCC1=NCC=C1.
What is the InChIKey of 5-ethyl-2H-pyrrole?
The InChIKey is DFJAJPWDTLFRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h3-4H,2,5H2,1H3.
What are the key properties of 5-ethyl-2H-pyrrole?
5-ethyl-2H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2H-pyrrole is sourced from PubChem (CID 20725724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).