(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole

C13H21N — CID 58157107

IUPAC(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C\C(C)(C)C)N=C1C
InChIInChI=1S/C13H21N/c1-7-11-9(2)12(14-10(11)3)8-13(4,5)6/h8H,7H2,1-6H3/b12-8+
InChIKeyUHHKXRXPKZKZBX-XYOKQWHBSA-N
MW191.32 g/mol
LogP4.12
Rot. Bonds1

About (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole

(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole (PubChem CID 58157107) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
PubChem CID58157107
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C\C(C)(C)C)N=C1C
InChIInChI=1S/C13H21N/c1-7-11-9(2)12(14-10(11)3)8-13(4,5)6/h8H,7H2,1-6H3/b12-8+
InChIKeyUHHKXRXPKZKZBX-XYOKQWHBSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

2,3-Dimethyl-4,6-dihydrocyclopenta[b]pyridin-4-ide;yttrium
CID 59059993
2,4,5-Trimethyl-3,6-dimethylidenepyridine
CID 59775903
2,3-Dimethylcyclopenta[b]pyrrole
CID 67590577
3-Tert-butyl-2,5-dimethylcyclopenta[b]pyrrole
CID 69787590
2-Ethyl-3,4-dimethylcyclopenta[b]pyrrole
CID 70018656
2-ethenyl-3,3-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]pyrrole
CID 87093577
2-Hexylideneindole
CID 87404983
2,3,5-Trimethylcyclopenta[b]pyrrole
CID 88278711
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-3-methylbut-3-en-2-imine
CID 88948199
(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole
CID 88975479
(5E)-3-ethyl-2,4-dimethyl-5-(2-methylpropylidene)pyrrole
CID 89219504
(5Z,6E)-2-methyl-6-prop-2-enylidene-3-propyl-5-propylidenepyridine
CID 89256584

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole?
The IUPAC name of (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole (CID 58157107) is (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole.
What is the SMILES notation for (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole?
The canonical SMILES for (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole is CCC1=C(C)/C(=C\C(C)(C)C)N=C1C.
What is the InChIKey of (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole?
The InChIKey is UHHKXRXPKZKZBX-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H21N/c1-7-11-9(2)12(14-10(11)3)8-13(4,5)6/h8H,7H2,1-6H3/b12-8+.
What are the key properties of (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole?
(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole has a molecular weight of 191.32 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole is sourced from PubChem (CID 58157107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).