3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole

C13H21N — CID 59066683

IUPAC3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
SMILESCCC1=C(C)C(=C(C)C)N=C1C(C)C
InChIInChI=1S/C13H21N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9H,7H2,1-6H3
InChIKeyWAKWYBHOWRSMNH-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.12
Rot. Bonds2

About 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole

3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole (PubChem CID 59066683) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole.

Molecular Properties

Compound Name3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
PubChem CID59066683
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole
SMILESCCC1=C(C)C(=C(C)C)N=C1C(C)C
InChIInChI=1S/C13H21N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9H,7H2,1-6H3
InChIKeyWAKWYBHOWRSMNH-UHFFFAOYSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The IUPAC name of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole (CID 59066683) is 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole.
What is the SMILES notation for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The canonical SMILES for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole is CCC1=C(C)C(=C(C)C)N=C1C(C)C.
What is the InChIKey of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
The InChIKey is WAKWYBHOWRSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-7-11-10(6)12(8(2)3)14-13(11)9(4)5/h9H,7H2,1-6H3.
What are the key properties of 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole?
3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole has a molecular weight of 191.32 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-2-propan-2-yl-5-propan-2-ylidenepyrrole is sourced from PubChem (CID 59066683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).