(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

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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).