(3E)-3-(bromomethylidene)pyrrol-2-amine

C5H5BrN2 — CID 143647057

IUPAC(3E)-3-(bromomethylidene)pyrrol-2-amine
SMILESNC1=NC=C/C1=C\Br
InChIInChI=1S/C5H5BrN2/c6-3-4-1-2-8-5(4)7/h1-3H,(H2,7,8)/b4-3+
InChIKeyOQPNADZTTHFFNP-ONEGZZNKSA-N
MW173.01 g/mol
LogP1.15
Rot. Bonds

About (3E)-3-(bromomethylidene)pyrrol-2-amine

(3E)-3-(bromomethylidene)pyrrol-2-amine (PubChem CID 143647057) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is (3E)-3-(bromomethylidene)pyrrol-2-amine.

Molecular Properties

Compound Name(3E)-3-(bromomethylidene)pyrrol-2-amine
PubChem CID143647057
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name(3E)-3-(bromomethylidene)pyrrol-2-amine
SMILESNC1=NC=C/C1=C\Br
InChIInChI=1S/C5H5BrN2/c6-3-4-1-2-8-5(4)7/h1-3H,(H2,7,8)/b4-3+
InChIKeyOQPNADZTTHFFNP-ONEGZZNKSA-N
XLogP1.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(bromomethylidene)pyrrol-2-amine?
The IUPAC name of (3E)-3-(bromomethylidene)pyrrol-2-amine (CID 143647057) is (3E)-3-(bromomethylidene)pyrrol-2-amine.
What is the SMILES notation for (3E)-3-(bromomethylidene)pyrrol-2-amine?
The canonical SMILES for (3E)-3-(bromomethylidene)pyrrol-2-amine is NC1=NC=C/C1=C\Br.
What is the InChIKey of (3E)-3-(bromomethylidene)pyrrol-2-amine?
The InChIKey is OQPNADZTTHFFNP-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-3-4-1-2-8-5(4)7/h1-3H,(H2,7,8)/b4-3+.
What are the key properties of (3E)-3-(bromomethylidene)pyrrol-2-amine?
(3E)-3-(bromomethylidene)pyrrol-2-amine has a molecular weight of 173.01 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(bromomethylidene)pyrrol-2-amine is sourced from PubChem (CID 143647057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).