2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole

C13H25N — CID 89007178

IUPAC2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole
SMILESCCC1=CCC(CC)N1C(C)(C)CC
InChIInChI=1S/C13H25N/c1-6-11-9-10-12(7-2)14(11)13(4,5)8-3/h9,12H,6-8,10H2,1-5H3
InChIKeyFVEVZNJMXURIFV-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.95
Rot. Bonds4

About 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole

2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole (PubChem CID 89007178) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole
PubChem CID89007178
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole
SMILESCCC1=CCC(CC)N1C(C)(C)CC
InChIInChI=1S/C13H25N/c1-6-11-9-10-12(7-2)14(11)13(4,5)8-3/h9,12H,6-8,10H2,1-5H3
InChIKeyFVEVZNJMXURIFV-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole?
The IUPAC name of 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole (CID 89007178) is 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole?
The canonical SMILES for 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole is CCC1=CCC(CC)N1C(C)(C)CC.
What is the InChIKey of 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole?
The InChIKey is FVEVZNJMXURIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-11-9-10-12(7-2)14(11)13(4,5)8-3/h9,12H,6-8,10H2,1-5H3.
What are the key properties of 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole?
2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole has a molecular weight of 195.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(2-methylbutan-2-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 89007178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).