5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole

C8H15N — CID 58975962

IUPAC5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCCC1=NC(C)C(C)C1
InChIInChI=1S/C8H15N/c1-4-8-5-6(2)7(3)9-8/h6-7H,4-5H2,1-3H3
InChIKeyPYLARHALIANSNW-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds1

About 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole

5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole (PubChem CID 58975962) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole
PubChem CID58975962
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCCC1=NC(C)C(C)C1
InChIInChI=1S/C8H15N/c1-4-8-5-6(2)7(3)9-8/h6-7H,4-5H2,1-3H3
InChIKeyPYLARHALIANSNW-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 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 ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole (CID 58975962) is 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole is CCC1=NC(C)C(C)C1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is PYLARHALIANSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-4-8-5-6(2)7(3)9-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole?
5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58975962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).