N-(2-but-1-en-2-ylthiophen-3-yl)methanimine

C9H11NS — CID 167050150

IUPACN-(2-but-1-en-2-ylthiophen-3-yl)methanimine
SMILESC=Nc1ccsc1C(=C)CC
InChIInChI=1S/C9H11NS/c1-4-7(2)9-8(10-3)5-6-11-9/h5-6H,2-4H2,1H3
InChIKeyQNTJFGRLHDHESU-UHFFFAOYSA-N
MW165.26 g/mol
LogP3.50
Rot. Bonds3

About N-(2-but-1-en-2-ylthiophen-3-yl)methanimine

N-(2-but-1-en-2-ylthiophen-3-yl)methanimine (PubChem CID 167050150) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is N-(2-but-1-en-2-ylthiophen-3-yl)methanimine.

Molecular Properties

Compound NameN-(2-but-1-en-2-ylthiophen-3-yl)methanimine
PubChem CID167050150
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameN-(2-but-1-en-2-ylthiophen-3-yl)methanimine
SMILESC=Nc1ccsc1C(=C)CC
InChIInChI=1S/C9H11NS/c1-4-7(2)9-8(10-3)5-6-11-9/h5-6H,2-4H2,1H3
InChIKeyQNTJFGRLHDHESU-UHFFFAOYSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-pent-1-en-2-ylthiophene
CID 143333481
N-(1-but-1-en-2-ylnaphthalen-2-yl)methanimine
CID 129183037
N-[bis(3-ethylthiophen-2-yl)methylidene]hydroxylamine
CID 10683132
1-(3-diazenylthiophen-2-yl)ethenol
CID 90147211
N-(2-ethynylthiophen-3-yl)methanimine
CID 153381129
2-[(3E)-4-carboxyhexa-1,3-dien-2-yl]thiophene-3-carboxylic acid
CID 137398593
3-(1-ethoxyethenyl)thiophene-2-carboxylic acid
CID 151827123
ethane;3-ethylthiophene-2-carboxylic acid
CID 142472678
1-[2-[1-[1-(3-ethylthiophen-2-yl)ethenylsulfanyl]ethenyl]thiophen-3-yl]propan-2-one
CID 144550207
3-ethyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618465
N-(2-ethylthiophen-3-yl)ethanimine
CID 138720721
2-methylprop-1-ene;3-phosphonothiophene-2-carboxylic acid
CID 174548060

Frequently Asked Questions

What is the IUPAC name of N-(2-but-1-en-2-ylthiophen-3-yl)methanimine?
The IUPAC name of N-(2-but-1-en-2-ylthiophen-3-yl)methanimine (CID 167050150) is N-(2-but-1-en-2-ylthiophen-3-yl)methanimine.
What is the SMILES notation for N-(2-but-1-en-2-ylthiophen-3-yl)methanimine?
The canonical SMILES for N-(2-but-1-en-2-ylthiophen-3-yl)methanimine is C=Nc1ccsc1C(=C)CC.
What is the InChIKey of N-(2-but-1-en-2-ylthiophen-3-yl)methanimine?
The InChIKey is QNTJFGRLHDHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-4-7(2)9-8(10-3)5-6-11-9/h5-6H,2-4H2,1H3.
What are the key properties of N-(2-but-1-en-2-ylthiophen-3-yl)methanimine?
N-(2-but-1-en-2-ylthiophen-3-yl)methanimine has a molecular weight of 165.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-1-en-2-ylthiophen-3-yl)methanimine is sourced from PubChem (CID 167050150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).