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

C18H26N2 — CID 42599547

IUPAC(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C(\C)c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C18H26N2/c1-8-15-10(3)17(19-13(15)6)12(5)18-11(4)16(9-2)14(7)20-18/h19H,8-9H2,1-7H3/b18-12-
InChIKeyXSDWZWUKXJNGSW-PDGQHHTCSA-N
MW270.42 g/mol
LogP5.13
Rot. Bonds3

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

(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole (PubChem CID 42599547) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole
PubChem CID42599547
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole
SMILESCCC1=C(C)/C(=C(\C)c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C18H26N2/c1-8-15-10(3)17(19-13(15)6)12(5)18-11(4)16(9-2)14(7)20-18/h19H,8-9H2,1-7H3/b18-12-
InChIKeyXSDWZWUKXJNGSW-PDGQHHTCSA-N
XLogP5.13
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole?
The IUPAC name of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole (CID 42599547) is (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole.
What is the SMILES notation for (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole?
The canonical SMILES for (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole is CCC1=C(C)/C(=C(\C)c2[nH]c(C)c(CC)c2C)N=C1C.
What is the InChIKey of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole?
The InChIKey is XSDWZWUKXJNGSW-PDGQHHTCSA-N. The full InChI is InChI=1S/C18H26N2/c1-8-15-10(3)17(19-13(15)6)12(5)18-11(4)16(9-2)14(7)20-18/h19H,8-9H2,1-7H3/b18-12-.
What are the key properties of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole?
(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole has a molecular weight of 270.42 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)ethylidene]-3,5-dimethylpyrrole is sourced from PubChem (CID 42599547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).