3-ethyl-1-methyl-2,3-dihydropyrrole

C7H13N — CID 89169701

IUPAC3-ethyl-1-methyl-2,3-dihydropyrrole
SMILESCCC1C=CN(C)C1
InChIInChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h4-5,7H,3,6H2,1-2H3
InChIKeyOSOFXAWWKLZPLN-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.47
Rot. Bonds1

About 3-ethyl-1-methyl-2,3-dihydropyrrole

3-ethyl-1-methyl-2,3-dihydropyrrole (PubChem CID 89169701) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-ethyl-1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name3-ethyl-1-methyl-2,3-dihydropyrrole
PubChem CID89169701
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-ethyl-1-methyl-2,3-dihydropyrrole
SMILESCCC1C=CN(C)C1
InChIInChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h4-5,7H,3,6H2,1-2H3
InChIKeyOSOFXAWWKLZPLN-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-2,3-dihydropyrrole?
The IUPAC name of 3-ethyl-1-methyl-2,3-dihydropyrrole (CID 89169701) is 3-ethyl-1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 3-ethyl-1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 3-ethyl-1-methyl-2,3-dihydropyrrole is CCC1C=CN(C)C1.
What is the InChIKey of 3-ethyl-1-methyl-2,3-dihydropyrrole?
The InChIKey is OSOFXAWWKLZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-2,3-dihydropyrrole?
3-ethyl-1-methyl-2,3-dihydropyrrole has a molecular weight of 111.19 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 89169701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).