2-ethyl-1,4-dimethyl-2,3-dihydropyrrole

C8H15N — CID 135288723

IUPAC2-ethyl-1,4-dimethyl-2,3-dihydropyrrole
SMILESCCC1CC(C)=CN1C
InChIInChI=1S/C8H15N/c1-4-8-5-7(2)6-9(8)3/h6,8H,4-5H2,1-3H3
InChIKeyUJRLXEPXQNAPHO-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.00
Rot. Bonds1

About 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole

2-ethyl-1,4-dimethyl-2,3-dihydropyrrole (PubChem CID 135288723) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-ethyl-1,4-dimethyl-2,3-dihydropyrrole
PubChem CID135288723
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-ethyl-1,4-dimethyl-2,3-dihydropyrrole
SMILESCCC1CC(C)=CN1C
InChIInChI=1S/C8H15N/c1-4-8-5-7(2)6-9(8)3/h6,8H,4-5H2,1-3H3
InChIKeyUJRLXEPXQNAPHO-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole?
The IUPAC name of 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole (CID 135288723) is 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole?
The canonical SMILES for 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole is CCC1CC(C)=CN1C.
What is the InChIKey of 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole?
The InChIKey is UJRLXEPXQNAPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-8-5-7(2)6-9(8)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole?
2-ethyl-1,4-dimethyl-2,3-dihydropyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,4-dimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 135288723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).