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

C12H20BrN — CID 143964468

IUPAC(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane
SMILESC/C=c1\c(=C/CBr)c(C)cn1C.CC
InChIInChI=1S/C10H14BrN.C2H6/c1-4-10-9(5-6-11)8(2)7-12(10)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b9-5-,10-4+;
InChIKeyBYXVCOOIOPRTHG-JXYOLPFWSA-N
MW258.20 g/mol
LogP2.34
Rot. Bonds1

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

(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane (PubChem CID 143964468) has the molecular formula C12H20BrN and a molecular weight of 258.20 g/mol. Its IUPAC name is (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane.

Molecular Properties

Compound Name(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane
PubChem CID143964468
Molecular FormulaC12H20BrN
Molecular Weight258.20 g/mol
Exact Mass257.08
IUPAC Name(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane
SMILESC/C=c1\c(=C/CBr)c(C)cn1C.CC
InChIInChI=1S/C10H14BrN.C2H6/c1-4-10-9(5-6-11)8(2)7-12(10)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b9-5-,10-4+;
InChIKeyBYXVCOOIOPRTHG-JXYOLPFWSA-N
XLogP2.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.34
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
5-Bromo-1,3-dimethyl-5,6-dihydroindole
CID 90879219
N,N-dimethyl-4-prop-1-en-2-ylhexa-2,4-dien-3-amine
CID 90918921
3-But-2-enylidene-2-ethylidene-1,1-dimethylpyrrol-1-ium
CID 123452256
(5E)-1-ethyl-2-methyl-4-methylidene-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenepyrrole
CID 126631877
(2E,3Z)-1-(4-bromobutyl)-2-ethylidene-3-propylidenepyrrole
CID 129016490
(2E)-N-ethenyl-N-methyl-4,5-dimethylidenehepta-2,6-dien-3-amine
CID 134438457
(3E)-N-butyl-N,2-dimethylhepta-1,3-dien-3-amine
CID 134449561
(Z,2E)-2-ethylidene-N-[(E)-hex-2-en-3-yl]-N,3-dimethylpent-3-en-1-amine
CID 139542208
(2E,3Z)-2-butylidene-1-methyl-3-propylidenepyrrole;ethane
CID 142489421
1,3-Dimethylcyclohepta[b]pyrrole
CID 143387311
(1Z,4E,6E,8Z)-N-(1-cyclopenta-1,3-dien-1-ylethenyl)-N,6-dimethyl-3-methylidenedeca-1,4,6,8-tetraen-1-amine
CID 143924448

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane?
The IUPAC name of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane (CID 143964468) is (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane.
What is the SMILES notation for (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane?
The canonical SMILES for (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane is C/C=c1\c(=C/CBr)c(C)cn1C.CC.
What is the InChIKey of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane?
The InChIKey is BYXVCOOIOPRTHG-JXYOLPFWSA-N. The full InChI is InChI=1S/C10H14BrN.C2H6/c1-4-10-9(5-6-11)8(2)7-12(10)3;1-2/h4-5,7H,6H2,1-3H3;1-2H3/b9-5-,10-4+;.
What are the key properties of (2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane?
(2E,3Z)-3-(2-bromoethylidene)-2-ethylidene-1,4-dimethylpyrrole;ethane has a molecular weight of 258.20 g/mol, XLogP of 2.34, 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;ethane is sourced from PubChem (CID 143964468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).