(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole

C9H10BrN — CID 144758790

IUPAC(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole
SMILESC=C(Br)/C=c1\c(=C)ccn1C
InChIInChI=1S/C9H10BrN/c1-7-4-5-11(3)9(7)6-8(2)10/h4-6H,1-2H2,3H3/b9-6+
InChIKeyLIDDCWDDJYZGHZ-RMKNXTFCSA-N
MW212.09 g/mol
LogP1.12
Rot. Bonds1

About (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole

(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole (PubChem CID 144758790) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole.

Molecular Properties

Compound Name(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole
PubChem CID144758790
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole
SMILESC=C(Br)/C=c1\c(=C)ccn1C
InChIInChI=1S/C9H10BrN/c1-7-4-5-11(3)9(7)6-8(2)10/h4-6H,1-2H2,3H3/b9-6+
InChIKeyLIDDCWDDJYZGHZ-RMKNXTFCSA-N
XLogP1.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-bromo-3-methyl-8H-indeno[2,1-b]pyrrole
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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole?
The IUPAC name of (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole (CID 144758790) is (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole.
What is the SMILES notation for (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole?
The canonical SMILES for (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole is C=C(Br)/C=c1\c(=C)ccn1C.
What is the InChIKey of (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole?
The InChIKey is LIDDCWDDJYZGHZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H10BrN/c1-7-4-5-11(3)9(7)6-8(2)10/h4-6H,1-2H2,3H3/b9-6+.
What are the key properties of (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole?
(2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole has a molecular weight of 212.09 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-bromoprop-2-enylidene)-1-methyl-3-methylidenepyrrole is sourced from PubChem (CID 144758790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).