N-but-3-enyl-1-(2-ethenylphenyl)methanimine

C13H15N — CID 167149734

IUPACN-but-3-enyl-1-(2-ethenylphenyl)methanimine
SMILESC=CCC/N=C/c1ccccc1C=C
InChIInChI=1S/C13H15N/c1-3-5-10-14-11-13-9-7-6-8-12(13)4-2/h3-4,6-9,11H,1-2,5,10H2/b14-11+
InChIKeyPCYYYALSRHTVAE-SDNWHVSQSA-N
MW185.27 g/mol
LogP3.32
Rot. Bonds5

About N-but-3-enyl-1-(2-ethenylphenyl)methanimine

N-but-3-enyl-1-(2-ethenylphenyl)methanimine (PubChem CID 167149734) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is N-but-3-enyl-1-(2-ethenylphenyl)methanimine.

Molecular Properties

Compound NameN-but-3-enyl-1-(2-ethenylphenyl)methanimine
PubChem CID167149734
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC NameN-but-3-enyl-1-(2-ethenylphenyl)methanimine
SMILESC=CCC/N=C/c1ccccc1C=C
InChIInChI=1S/C13H15N/c1-3-5-10-14-11-13-9-7-6-8-12(13)4-2/h3-4,6-9,11H,1-2,5,10H2/b14-11+
InChIKeyPCYYYALSRHTVAE-SDNWHVSQSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethenylphenyl)methylideneamino]acetaldehyde
CID 143293885
CID 67878092
CID 67878092
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CID 175428021
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
1-(2-bromo-5-phosphanylphenyl)-N-but-3-enylmethanimine
CID 143373107
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460
1-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
gold;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 136506148
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;manganese(2+)
CID 135568472
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503
1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-1-(2-ethenylphenyl)methanimine?
The IUPAC name of N-but-3-enyl-1-(2-ethenylphenyl)methanimine (CID 167149734) is N-but-3-enyl-1-(2-ethenylphenyl)methanimine.
What is the SMILES notation for N-but-3-enyl-1-(2-ethenylphenyl)methanimine?
The canonical SMILES for N-but-3-enyl-1-(2-ethenylphenyl)methanimine is C=CCC/N=C/c1ccccc1C=C.
What is the InChIKey of N-but-3-enyl-1-(2-ethenylphenyl)methanimine?
The InChIKey is PCYYYALSRHTVAE-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H15N/c1-3-5-10-14-11-13-9-7-6-8-12(13)4-2/h3-4,6-9,11H,1-2,5,10H2/b14-11+.
What are the key properties of N-but-3-enyl-1-(2-ethenylphenyl)methanimine?
N-but-3-enyl-1-(2-ethenylphenyl)methanimine has a molecular weight of 185.27 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-1-(2-ethenylphenyl)methanimine is sourced from PubChem (CID 167149734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).