(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole

C17H24N2 — CID 685994

IUPAC(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C\c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C17H24N2/c1-7-14-10(3)16(18-12(14)5)9-17-11(4)15(8-2)13(6)19-17/h9,18H,7-8H2,1-6H3/b17-9+
InChIKeyQSPGBUOFJNDGBP-RQZCQDPDSA-N
MW256.39 g/mol
LogP4.74
Rot. Bonds3

About (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole

(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole (PubChem CID 685994) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
PubChem CID685994
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C\c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C17H24N2/c1-7-14-10(3)16(18-12(14)5)9-17-11(4)15(8-2)13(6)19-17/h9,18H,7-8H2,1-6H3/b17-9+
InChIKeyQSPGBUOFJNDGBP-RQZCQDPDSA-N
XLogP4.74
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole?
The IUPAC name of (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole (CID 685994) is (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole.
What is the SMILES notation for (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole?
The canonical SMILES for (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole is CCC1=C(C)/C(=C\c2[nH]c(C)c(CC)c2C)N=C1C.
What is the InChIKey of (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole?
The InChIKey is QSPGBUOFJNDGBP-RQZCQDPDSA-N. The full InChI is InChI=1S/C17H24N2/c1-7-14-10(3)16(18-12(14)5)9-17-11(4)15(8-2)13(6)19-17/h9,18H,7-8H2,1-6H3/b17-9+.
What are the key properties of (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole?
(2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole has a molecular weight of 256.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole is sourced from PubChem (CID 685994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).