3-ethyl-3H-pyrrole

C6H9N — CID 143149371

IUPAC3-ethyl-3H-pyrrole
SMILESCCC1C=CN=C1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h3-6H,2H2,1H3
InChIKeyJGJPPKYKUXXGQG-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.61
Rot. Bonds1

About 3-ethyl-3H-pyrrole

3-ethyl-3H-pyrrole (PubChem CID 143149371) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 3-ethyl-3H-pyrrole.

Molecular Properties

Compound Name3-ethyl-3H-pyrrole
PubChem CID143149371
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name3-ethyl-3H-pyrrole
SMILESCCC1C=CN=C1
InChIInChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h3-6H,2H2,1H3
InChIKeyJGJPPKYKUXXGQG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-3-methyl-3,4-dihydropyridine
CID 68239949
3-Fluoro-4-methyl-3,4-dihydropyridine
CID 134377478
2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
3-methyl-3H-pyrrole
CID 10953038
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
4-Methyl-3,4-dihydropyridine
CID 14979260
4-Ethyl-3,4-dihydropyridine
CID 14979261
3-Methyl-3,4-dihydropyridine
CID 14979268
3-Ethyl-3,4-dihydropyridine
CID 14979269
1-methyl-3H-pyrrol-1-ium
CID 15202831
2,3-dimethyl-3H-pyrrole
CID 17769177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3H-pyrrole?
The IUPAC name of 3-ethyl-3H-pyrrole (CID 143149371) is 3-ethyl-3H-pyrrole.
What is the SMILES notation for 3-ethyl-3H-pyrrole?
The canonical SMILES for 3-ethyl-3H-pyrrole is CCC1C=CN=C1.
What is the InChIKey of 3-ethyl-3H-pyrrole?
The InChIKey is JGJPPKYKUXXGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-4-7-5-6/h3-6H,2H2,1H3.
What are the key properties of 3-ethyl-3H-pyrrole?
3-ethyl-3H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3H-pyrrole is sourced from PubChem (CID 143149371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).