2-ethyl-1-methyl-2,5-dihydropyrrole

C7H13N — CID 123343995

IUPAC2-ethyl-1-methyl-2,5-dihydropyrrole
SMILESCCC1C=CCN1C
InChIInChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h4-5,7H,3,6H2,1-2H3
InChIKeyGBRWJFNXYQADTR-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds1

About 2-ethyl-1-methyl-2,5-dihydropyrrole

2-ethyl-1-methyl-2,5-dihydropyrrole (PubChem CID 123343995) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-ethyl-1-methyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name2-ethyl-1-methyl-2,5-dihydropyrrole
PubChem CID123343995
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-ethyl-1-methyl-2,5-dihydropyrrole
SMILESCCC1C=CCN1C
InChIInChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h4-5,7H,3,6H2,1-2H3
InChIKeyGBRWJFNXYQADTR-UHFFFAOYSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-2,5-dihydropyrrole?
The IUPAC name of 2-ethyl-1-methyl-2,5-dihydropyrrole (CID 123343995) is 2-ethyl-1-methyl-2,5-dihydropyrrole.
What is the SMILES notation for 2-ethyl-1-methyl-2,5-dihydropyrrole?
The canonical SMILES for 2-ethyl-1-methyl-2,5-dihydropyrrole is CCC1C=CCN1C.
What is the InChIKey of 2-ethyl-1-methyl-2,5-dihydropyrrole?
The InChIKey is GBRWJFNXYQADTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-2,5-dihydropyrrole?
2-ethyl-1-methyl-2,5-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-2,5-dihydropyrrole is sourced from PubChem (CID 123343995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).