(2E)-2-ethylidene-3,4,5-trimethylpyrrole

C9H13N — CID 142265887

IUPAC(2E)-2-ethylidene-3,4,5-trimethylpyrrole
SMILESC/C=C1/N=C(C)C(C)=C1C
InChIInChI=1S/C9H13N/c1-5-9-7(3)6(2)8(4)10-9/h5H,1-4H3/b9-5+
InChIKeyZIUNRIYPSHNHFB-WEVVVXLNSA-N
MW135.21 g/mol
LogP2.70
Rot. Bonds

About (2E)-2-ethylidene-3,4,5-trimethylpyrrole

(2E)-2-ethylidene-3,4,5-trimethylpyrrole (PubChem CID 142265887) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E)-2-ethylidene-3,4,5-trimethylpyrrole.

Molecular Properties

Compound Name(2E)-2-ethylidene-3,4,5-trimethylpyrrole
PubChem CID142265887
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E)-2-ethylidene-3,4,5-trimethylpyrrole
SMILESC/C=C1/N=C(C)C(C)=C1C
InChIInChI=1S/C9H13N/c1-5-9-7(3)6(2)8(4)10-9/h5H,1-4H3/b9-5+
InChIKeyZIUNRIYPSHNHFB-WEVVVXLNSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-3,4,5-trimethylpyrrole?
The IUPAC name of (2E)-2-ethylidene-3,4,5-trimethylpyrrole (CID 142265887) is (2E)-2-ethylidene-3,4,5-trimethylpyrrole.
What is the SMILES notation for (2E)-2-ethylidene-3,4,5-trimethylpyrrole?
The canonical SMILES for (2E)-2-ethylidene-3,4,5-trimethylpyrrole is C/C=C1/N=C(C)C(C)=C1C.
What is the InChIKey of (2E)-2-ethylidene-3,4,5-trimethylpyrrole?
The InChIKey is ZIUNRIYPSHNHFB-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13N/c1-5-9-7(3)6(2)8(4)10-9/h5H,1-4H3/b9-5+.
What are the key properties of (2E)-2-ethylidene-3,4,5-trimethylpyrrole?
(2E)-2-ethylidene-3,4,5-trimethylpyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-3,4,5-trimethylpyrrole is sourced from PubChem (CID 142265887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).