N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine

C8H8BrNS — CID 91360274

IUPACN-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine
SMILESC=NCC(=C)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNS/c1-6(5-10-2)7-3-4-8(9)11-7/h3-4H,1-2,5H2
InChIKeyNWCQRKDCZAXDPI-UHFFFAOYSA-N
MW230.13 g/mol
LogP3.22
Rot. Bonds3

About N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine

N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine (PubChem CID 91360274) has the molecular formula C8H8BrNS and a molecular weight of 230.13 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine
PubChem CID91360274
Molecular FormulaC8H8BrNS
Molecular Weight230.13 g/mol
Exact Mass228.96
IUPAC NameN-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine
SMILESC=NCC(=C)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNS/c1-6(5-10-2)7-3-4-8(9)11-7/h3-4H,1-2,5H2
InChIKeyNWCQRKDCZAXDPI-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.13
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine (CID 91360274) is N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine is C=NCC(=C)c1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine?
The InChIKey is NWCQRKDCZAXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNS/c1-6(5-10-2)7-3-4-8(9)11-7/h3-4H,1-2,5H2.
What are the key properties of N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine?
N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine has a molecular weight of 230.13 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)prop-2-enyl]methanimine is sourced from PubChem (CID 91360274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).