2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide

C16H23BrN2 — CID 132760546

IUPAC2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
SMILESBr.CCc1c(C)[nH]c(C=C2N=C(C)C(C)=C2C)c1C
InChIInChI=1S/C16H22N2.BrH/c1-7-14-11(4)16(18-13(14)6)8-15-10(3)9(2)12(5)17-15;/h8,18H,7H2,1-6H3;1H
InChIKeyYKIFLSAEMVPOFC-UHFFFAOYSA-N
MW323.28 g/mol
LogP4.92
Rot. Bonds2

About 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide

2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide (PubChem CID 132760546) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide.

Molecular Properties

Compound Name2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
PubChem CID132760546
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
SMILESBr.CCc1c(C)[nH]c(C=C2N=C(C)C(C)=C2C)c1C
InChIInChI=1S/C16H22N2.BrH/c1-7-14-11(4)16(18-13(14)6)8-15-10(3)9(2)12(5)17-15;/h8,18H,7H2,1-6H3;1H
InChIKeyYKIFLSAEMVPOFC-UHFFFAOYSA-N
XLogP4.92
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z)-2,3,4-trimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 15857952
(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
3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
CID 177403983
(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
[1-[2-[2-[(5E)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]acetyl]oxynaphthalen-1-yl]naphthalen-2-yl] 2-[(5Z)-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]acetate
CID 177397877
3-ethyl-2,4-dimethyl-5-[(4-methylpyrrol-2-ylidene)methyl]-1H-pyrrole
CID 170990909
methyl 3-[(5Z)-5-[(3,4-dimethyl-5-(113C)methyl-1H-pyrrol-2-yl)methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3,4,5-trimethylpyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
CID 138962847
(5Z)-2-(dibromomethyl)-5-[[5-(dibromomethyl)-4-ethyl-3-methyl-1H-pyrrol-2-yl]methylidene]-3-ethyl-4-methylpyrrole
CID 5387607
methyl 3-[(2Z)-5-[[(5E)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 46222496
(2Z)-2-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-[2-[(5E)-5-[(3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]ethyl]-3,5-dimethylpyrrole
CID 177388577
(3Z)-1-chloro-3-[(3-ethyl-4,5-dimethyl-1H-pyrrol-2-yl)methylidene]isoindole
CID 11129840
(3Z)-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 10587839

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide?
The IUPAC name of 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide (CID 132760546) is 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide.
What is the SMILES notation for 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide?
The canonical SMILES for 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide is Br.CCc1c(C)[nH]c(C=C2N=C(C)C(C)=C2C)c1C.
What is the InChIKey of 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide?
The InChIKey is YKIFLSAEMVPOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2.BrH/c1-7-14-11(4)16(18-13(14)6)8-15-10(3)9(2)12(5)17-15;/h8,18H,7H2,1-6H3;1H.
What are the key properties of 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide?
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide has a molecular weight of 323.28 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide is sourced from PubChem (CID 132760546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).