(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole

C11H17N — CID 88975479

IUPAC(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole
SMILESCC/C=C1/N=C(C)C(CC)=C1C
InChIInChI=1S/C11H17N/c1-5-7-11-8(3)10(6-2)9(4)12-11/h7H,5-6H2,1-4H3/b11-7+
InChIKeyOMTCQVNEPRRVAC-YRNVUSSQSA-N
MW163.26 g/mol
LogP3.48
Rot. Bonds2

About (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole

(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole (PubChem CID 88975479) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole.

Molecular Properties

Compound Name(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole
PubChem CID88975479
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole
SMILESCC/C=C1/N=C(C)C(CC)=C1C
InChIInChI=1S/C11H17N/c1-5-7-11-8(3)10(6-2)9(4)12-11/h7H,5-6H2,1-4H3/b11-7+
InChIKeyOMTCQVNEPRRVAC-YRNVUSSQSA-N
XLogP3.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,4E)-4-but-3-en-2-ylidene-3-(1-fluoroethylidene)-2-methyl-5-methylidenepyrrole
CID 143358710
2-Butylcyclopenta[b]pyrrole
CID 17855694
2-Ethylcyclopenta[b]pyrrole
CID 17855736
(2E)-2-(2,2-dimethylpropylidene)-4-ethyl-3,5-dimethylpyrrole
CID 58157107
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
2,3,4-Trimethylcyclopenta[b]pyrrole
CID 69915710
2,5-Di(propan-2-yl)cyclopenta[b]pyrrole
CID 69966519
2-Ethyl-3,4-dimethylcyclopenta[b]pyrrole
CID 70018656
2,5-Dimethyl-3-methylidenepyrrole
CID 85519008

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole?
The IUPAC name of (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole (CID 88975479) is (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole.
What is the SMILES notation for (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole?
The canonical SMILES for (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole is CC/C=C1/N=C(C)C(CC)=C1C.
What is the InChIKey of (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole?
The InChIKey is OMTCQVNEPRRVAC-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H17N/c1-5-7-11-8(3)10(6-2)9(4)12-11/h7H,5-6H2,1-4H3/b11-7+.
What are the key properties of (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole?
(5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole has a molecular weight of 163.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2,4-dimethyl-5-propylidenepyrrole is sourced from PubChem (CID 88975479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).