(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine

C8H9BrN2 — CID 167219322

IUPAC(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine
SMILESC=CNC1=NC=C(Br)/C1=C/C
InChIInChI=1S/C8H9BrN2/c1-3-6-7(9)5-11-8(6)10-4-2/h3-5H,2H2,1H3,(H,10,11)/b6-3-
InChIKeyZQDXJPGHFYKDMQ-UTCJRWHESA-N
MW213.08 g/mol
LogP2.31
Rot. Bonds1

About (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine

(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine (PubChem CID 167219322) has the molecular formula C8H9BrN2 and a molecular weight of 213.08 g/mol. Its IUPAC name is (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine
PubChem CID167219322
Molecular FormulaC8H9BrN2
Molecular Weight213.08 g/mol
Exact Mass211.99
IUPAC Name(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine
SMILESC=CNC1=NC=C(Br)/C1=C/C
InChIInChI=1S/C8H9BrN2/c1-3-6-7(9)5-11-8(6)10-4-2/h3-5H,2H2,1H3,(H,10,11)/b6-3-
InChIKeyZQDXJPGHFYKDMQ-UTCJRWHESA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.08
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine?
The IUPAC name of (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine (CID 167219322) is (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine.
What is the SMILES notation for (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine?
The canonical SMILES for (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine is C=CNC1=NC=C(Br)/C1=C/C.
What is the InChIKey of (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine?
The InChIKey is ZQDXJPGHFYKDMQ-UTCJRWHESA-N. The full InChI is InChI=1S/C8H9BrN2/c1-3-6-7(9)5-11-8(6)10-4-2/h3-5H,2H2,1H3,(H,10,11)/b6-3-.
What are the key properties of (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine?
(3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine has a molecular weight of 213.08 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-bromo-N-ethenyl-3-ethylidenepyrrol-2-amine is sourced from PubChem (CID 167219322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).