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

C20H31ClN2 — CID 42599298

IUPAC(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride
SMILESCCC1=C(C)/C(=C(/c2[nH]c(C)c(CC)c2C)C(C)C)N=C1C.Cl
InChIInChI=1S/C20H30N2.ClH/c1-9-16-12(5)19(21-14(16)7)18(11(3)4)20-13(6)17(10-2)15(8)22-20;/h11,21H,9-10H2,1-8H3;1H/b20-18-;
InChIKeyGUNIGIHTCHOJNO-GQQUDWLYSA-N
MW334.94 g/mol
LogP6.18
Rot. Bonds4

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

(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride (PubChem CID 42599298) has the molecular formula C20H31ClN2 and a molecular weight of 334.94 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride
PubChem CID42599298
Molecular FormulaC20H31ClN2
Molecular Weight334.94 g/mol
Exact Mass334.22
IUPAC Name(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride
SMILESCCC1=C(C)/C(=C(/c2[nH]c(C)c(CC)c2C)C(C)C)N=C1C.Cl
InChIInChI=1S/C20H30N2.ClH/c1-9-16-12(5)19(21-14(16)7)18(11(3)4)20-13(6)17(10-2)15(8)22-20;/h11,21H,9-10H2,1-8H3;1H/b20-18-;
InChIKeyGUNIGIHTCHOJNO-GQQUDWLYSA-N
XLogP6.18
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.94
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-((4-((dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine
CID 229022
2,3,4,5-Tetramethylpyrrole
CID 70484
3,3',4,4',5,5'-Hexamethyl-2,2'-dipyrrolylmethene
CID 15857952
1H-Pyrrole, 3-ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-
CID 685994
2,3,5-Tris(1,1-dimethylethyl)-1H-pyrrole
CID 12722275
(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide
CID 11537356
(2Z)-2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole
CID 5708106
1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
CID 10628
3,5-Dimethyl-2-(2,4-dimethyl-1H-pyrrol-2-ylmethylene)-2H-pyrrole hydriodide
CID 6444680
2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,5-dimethyl-1H-pyrrole monohydrochloride
CID 16218331
2-((3,5-Dimethyl-2H-pyrrol-2-ylidene)methyl)-3,5-dimethyl-1H-pyrrole hydrochloride
CID 53411849
(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole
CID 685995

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride?
The IUPAC name of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride (CID 42599298) is (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride.
What is the SMILES notation for (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride?
The canonical SMILES for (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride is CCC1=C(C)/C(=C(/c2[nH]c(C)c(CC)c2C)C(C)C)N=C1C.Cl.
What is the InChIKey of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride?
The InChIKey is GUNIGIHTCHOJNO-GQQUDWLYSA-N. The full InChI is InChI=1S/C20H30N2.ClH/c1-9-16-12(5)19(21-14(16)7)18(11(3)4)20-13(6)17(10-2)15(8)22-20;/h11,21H,9-10H2,1-8H3;1H/b20-18-;.
What are the key properties of (2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride?
(2Z)-4-ethyl-2-[1-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride has a molecular weight of 334.94 g/mol, XLogP of 6.18, 4 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)-2-methylpropylidene]-3,5-dimethylpyrrole;hydrochloride is sourced from PubChem (CID 42599298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).