4,4-diethyl-2,3-dihydropyrrole

C8H15N — CID 24977838

IUPAC4,4-diethyl-2,3-dihydropyrrole
SMILESCCC1(CC)C=NCC1
InChIInChI=1S/C8H15N/c1-3-8(4-2)5-6-9-7-8/h7H,3-6H2,1-2H3
InChIKeySVXFPSJABQCDKE-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds2

About 4,4-diethyl-2,3-dihydropyrrole

4,4-diethyl-2,3-dihydropyrrole (PubChem CID 24977838) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 4,4-diethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,4-diethyl-2,3-dihydropyrrole
PubChem CID24977838
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name4,4-diethyl-2,3-dihydropyrrole
SMILESCCC1(CC)C=NCC1
InChIInChI=1S/C8H15N/c1-3-8(4-2)5-6-9-7-8/h7H,3-6H2,1-2H3
InChIKeySVXFPSJABQCDKE-UHFFFAOYSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 4,4-diethyl-2,3-dihydropyrrole?
The IUPAC name of 4,4-diethyl-2,3-dihydropyrrole (CID 24977838) is 4,4-diethyl-2,3-dihydropyrrole.
What is the SMILES notation for 4,4-diethyl-2,3-dihydropyrrole?
The canonical SMILES for 4,4-diethyl-2,3-dihydropyrrole is CCC1(CC)C=NCC1.
What is the InChIKey of 4,4-diethyl-2,3-dihydropyrrole?
The InChIKey is SVXFPSJABQCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(4-2)5-6-9-7-8/h7H,3-6H2,1-2H3.
What are the key properties of 4,4-diethyl-2,3-dihydropyrrole?
4,4-diethyl-2,3-dihydropyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-2,3-dihydropyrrole is sourced from PubChem (CID 24977838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).