(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole

C10H14BrN — CID 143964469

IUPAC(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole
SMILESC/C=c1\c(=C/CBr)c(C)cn1C
InChIInChI=1S/C10H14BrN/c1-4-10-9(5-6-11)8(2)7-12(10)3/h4-5,7H,6H2,1-3H3/b9-5-,10-4+
InChIKeyZEPSHVCOZMUKRH-LPTSPAKCSA-N
MW228.13 g/mol
LogP1.31
Rot. Bonds1

About (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole

(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole (PubChem CID 143964469) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole
PubChem CID143964469
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole
SMILESC/C=c1\c(=C/CBr)c(C)cn1C
InChIInChI=1S/C10H14BrN/c1-4-10-9(5-6-11)8(2)7-12(10)3/h4-5,7H,6H2,1-3H3/b9-5-,10-4+
InChIKeyZEPSHVCOZMUKRH-LPTSPAKCSA-N
XLogP1.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(Z)-1-bromobut-2-enylidene]-3-methylidene-1-prop-2-enylpyrrole
CID 88866359
1,3-dimethyl-5H-cyclohepta[b]pyrrole
CID 89385099
5-Bromo-1,3-dimethyl-5,6-dihydroindole
CID 90879219
1-Ethenyl-4-ethylidene-2,3-dimethylidenepyridine
CID 91319769
3-Ethylidene-1-methyl-2-propylidenepyrrole
CID 91567465
5-(Bromomethyl)-1-methyl-2-methylidenepyridine
CID 123372442
2,3-Di(ethylidene)-1-methylpyrrole
CID 123596641
(2E,3Z)-1-(4-bromobutyl)-2-ethylidene-3-propylidenepyrrole
CID 129016490
(2E,3Z)-1-methyl-2,3-bis(prop-2-enylidene)pyrrole
CID 131980533
(2E)-N-ethenyl-N-methyl-4,5-dimethylidenehepta-2,6-dien-3-amine
CID 134438457
(2E)-2-[(Z)-but-2-enylidene]-1-methyl-3-methylidenepyrrole
CID 138600508
(2E,3Z)-3-ethylidene-1-methyl-2-prop-2-enylidenepyrrole
CID 138667504

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole?
The IUPAC name of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole (CID 143964469) is (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole.
What is the SMILES notation for (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole?
The canonical SMILES for (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole is C/C=c1\c(=C/CBr)c(C)cn1C.
What is the InChIKey of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole?
The InChIKey is ZEPSHVCOZMUKRH-LPTSPAKCSA-N. The full InChI is InChI=1S/C10H14BrN/c1-4-10-9(5-6-11)8(2)7-12(10)3/h4-5,7H,6H2,1-3H3/b9-5-,10-4+.
What are the key properties of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole?
(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole has a molecular weight of 228.13 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole is sourced from PubChem (CID 143964469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).