(E)-2-ethenyl-4-methyliminobut-2-en-1-ol

C7H11NO — CID 144667010

IUPAC(E)-2-ethenyl-4-methyliminobut-2-en-1-ol
SMILESC=C/C(=C\C=N\C)CO
InChIInChI=1S/C7H11NO/c1-3-7(6-9)4-5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyOHPGDZZWKHYISB-NSLJXJERSA-N
MW125.17 g/mol
LogP0.79
Rot. Bonds3

About (E)-2-ethenyl-4-methyliminobut-2-en-1-ol

(E)-2-ethenyl-4-methyliminobut-2-en-1-ol (PubChem CID 144667010) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (E)-2-ethenyl-4-methyliminobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-ethenyl-4-methyliminobut-2-en-1-ol
PubChem CID144667010
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(E)-2-ethenyl-4-methyliminobut-2-en-1-ol
SMILESC=C/C(=C\C=N\C)CO
InChIInChI=1S/C7H11NO/c1-3-7(6-9)4-5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+
InChIKeyOHPGDZZWKHYISB-NSLJXJERSA-N
XLogP0.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-4-methyliminobut-2-en-1-ol?
The IUPAC name of (E)-2-ethenyl-4-methyliminobut-2-en-1-ol (CID 144667010) is (E)-2-ethenyl-4-methyliminobut-2-en-1-ol.
What is the SMILES notation for (E)-2-ethenyl-4-methyliminobut-2-en-1-ol?
The canonical SMILES for (E)-2-ethenyl-4-methyliminobut-2-en-1-ol is C=C/C(=C\C=N\C)CO.
What is the InChIKey of (E)-2-ethenyl-4-methyliminobut-2-en-1-ol?
The InChIKey is OHPGDZZWKHYISB-NSLJXJERSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-7(6-9)4-5-8-2/h3-5,9H,1,6H2,2H3/b7-4+,8-5+.
What are the key properties of (E)-2-ethenyl-4-methyliminobut-2-en-1-ol?
(E)-2-ethenyl-4-methyliminobut-2-en-1-ol has a molecular weight of 125.17 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-4-methyliminobut-2-en-1-ol is sourced from PubChem (CID 144667010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).