2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide

C14H19BrN2 — CID 131665765

IUPAC2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
SMILESBr.CC1=C(C)/C(=C/c2[nH]c(C)c(C)c2C)N=C1
InChIInChI=1S/C14H18N2.BrH/c1-8-7-15-13(9(8)2)6-14-11(4)10(3)12(5)16-14;/h6-7,16H,1-5H3;1H/b13-6-;
InChIKeyXUWKAWUWRWBJAP-FJMCHERXSA-N
MW295.22 g/mol
LogP4.28
Rot. Bonds1

About 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide

2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide (PubChem CID 131665765) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide.

Molecular Properties

Compound Name2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
PubChem CID131665765
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide
SMILESBr.CC1=C(C)/C(=C/c2[nH]c(C)c(C)c2C)N=C1
InChIInChI=1S/C14H18N2.BrH/c1-8-7-15-13(9(8)2)6-14-11(4)10(3)12(5)16-14;/h6-7,16H,1-5H3;1H/b13-6-;
InChIKeyXUWKAWUWRWBJAP-FJMCHERXSA-N
XLogP4.28
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,4-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4-dimethylpyrrole
CID 603841
(5Z)-2,3,4-trimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 15857952
2-[3-chloro-1-[5-[(E)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]propyl]-5-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrole
CID 177439177
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-5-ethoxy-3,4-diethyl-1H-pyrrole
CID 25199407
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
(2Z)-2-[[3,4-dimethyl-5-[(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-5-[[(5E)-3,4-dimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-dimethylpyrrole
CID 10530269
4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine
CID 77040314
3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
CID 170990909
(4Z)-4-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-6H-thieno[2,3-b]pyrrol-5-one
CID 59043151
(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 139120696
ethane;2,3,4,5-tetramethyl-1H-pyrrole
CID 91515820
2,3,5,7-tetramethyl-1H-1,8-naphthyridin-4-one
CID 13155599

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide?
The IUPAC name of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide (CID 131665765) is 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide.
What is the SMILES notation for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide?
The canonical SMILES for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide is Br.CC1=C(C)/C(=C/c2[nH]c(C)c(C)c2C)N=C1.
What is the InChIKey of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide?
The InChIKey is XUWKAWUWRWBJAP-FJMCHERXSA-N. The full InChI is InChI=1S/C14H18N2.BrH/c1-8-7-15-13(9(8)2)6-14-11(4)10(3)12(5)16-14;/h6-7,16H,1-5H3;1H/b13-6-;.
What are the key properties of 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide?
2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide has a molecular weight of 295.22 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,4-dimethylpyrrol-2-ylidene)methyl]-3,4,5-trimethyl-1H-pyrrole;hydrobromide is sourced from PubChem (CID 131665765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).