(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol

C11H19NO — CID 139323211

IUPAC(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol
SMILESC=C/C(=C\C/C=N/C(C)CC)CO
InChIInChI=1S/C11H19NO/c1-4-10(3)12-8-6-7-11(5-2)9-13/h5,7-8,10,13H,2,4,6,9H2,1,3H3/b11-7+,12-8+
InChIKeyOPEVQYYBLPZMNM-MKICQXMISA-N
MW181.28 g/mol
LogP2.35
Rot. Bonds6

About (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol

(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol (PubChem CID 139323211) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol.

Molecular Properties

Compound Name(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol
PubChem CID139323211
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol
SMILESC=C/C(=C\C/C=N/C(C)CC)CO
InChIInChI=1S/C11H19NO/c1-4-10(3)12-8-6-7-11(5-2)9-13/h5,7-8,10,13H,2,4,6,9H2,1,3H3/b11-7+,12-8+
InChIKeyOPEVQYYBLPZMNM-MKICQXMISA-N
XLogP2.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol?
The IUPAC name of (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol (CID 139323211) is (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol.
What is the SMILES notation for (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol?
The canonical SMILES for (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol is C=C/C(=C\C/C=N/C(C)CC)CO.
What is the InChIKey of (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol?
The InChIKey is OPEVQYYBLPZMNM-MKICQXMISA-N. The full InChI is InChI=1S/C11H19NO/c1-4-10(3)12-8-6-7-11(5-2)9-13/h5,7-8,10,13H,2,4,6,9H2,1,3H3/b11-7+,12-8+.
What are the key properties of (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol?
(E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-butan-2-ylimino-2-ethenylpent-2-en-1-ol is sourced from PubChem (CID 139323211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).