(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol

C13H17NO — CID 143604974

IUPAC(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol
SMILESC/C=C(\C=N\CCc1ccccc1)CO
InChIInChI=1S/C13H17NO/c1-2-12(11-15)10-14-9-8-13-6-4-3-5-7-13/h2-7,10,15H,8-9,11H2,1H3/b12-2+,14-10+
InChIKeyRLDIKYIPHJVNKO-PFAPBJIQSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds5

About (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol

(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol (PubChem CID 143604974) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol
PubChem CID143604974
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol
SMILESC/C=C(\C=N\CCc1ccccc1)CO
InChIInChI=1S/C13H17NO/c1-2-12(11-15)10-14-9-8-13-6-4-3-5-7-13/h2-7,10,15H,8-9,11H2,1H3/b12-2+,14-10+
InChIKeyRLDIKYIPHJVNKO-PFAPBJIQSA-N
XLogP2.24
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1S)-1-[(3-fluorophenyl)methylideneamino]-3-methylbutan-1-ol
CID 69397670
1-[(2,4-Difluorophenyl)methylideneamino]-4-methylpentan-1-ol
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r-(+)-2-Benzylideneaminobutan-1-ol
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CID 86233161
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CID 130129561

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol?
The IUPAC name of (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol (CID 143604974) is (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol.
What is the SMILES notation for (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol?
The canonical SMILES for (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol is C/C=C(\C=N\CCc1ccccc1)CO.
What is the InChIKey of (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol?
The InChIKey is RLDIKYIPHJVNKO-PFAPBJIQSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-12(11-15)10-14-9-8-13-6-4-3-5-7-13/h2-7,10,15H,8-9,11H2,1H3/b12-2+,14-10+.
What are the key properties of (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol?
(E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-phenylethyliminomethyl)but-2-en-1-ol is sourced from PubChem (CID 143604974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).