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

C17H25BrN2 — CID 11537356

IUPAC(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide
SMILESBr.CCC1=C(C)/C(=C/c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C17H24N2.BrH/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;1H/b17-9-;
InChIKeyNFXQMBJQSCIBDO-WPTDRQDKSA-N
MW337.31 g/mol
LogP5.31
Rot. Bonds3

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

(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide (PubChem CID 11537356) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide.

Molecular Properties

Compound Name(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide
PubChem CID11537356
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide
SMILESBr.CCC1=C(C)/C(=C/c2[nH]c(C)c(CC)c2C)N=C1C
InChIInChI=1S/C17H24N2.BrH/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;1H/b17-9-;
InChIKeyNFXQMBJQSCIBDO-WPTDRQDKSA-N
XLogP5.31
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.31
LogP ≤ 55.31
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-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide?
The IUPAC name of (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide (CID 11537356) is (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide.
What is the SMILES notation for (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide?
The canonical SMILES for (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide is Br.CCC1=C(C)/C(=C/c2[nH]c(C)c(CC)c2C)N=C1C.
What is the InChIKey of (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide?
The InChIKey is NFXQMBJQSCIBDO-WPTDRQDKSA-N. The full InChI is InChI=1S/C17H24N2.BrH/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;1H/b17-9-;.
What are the key properties of (2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide?
(2Z)-4-ethyl-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide has a molecular weight of 337.31 g/mol, XLogP of 5.31, 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-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole;hydrobromide is sourced from PubChem (CID 11537356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).