(E)-5-iminopent-3-en-2-ol

C5H9NO — CID 163559910

IUPAC(E)-5-iminopent-3-en-2-ol
SMILES[H]/N=C/C=C/C(C)O
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-7H,1H3/b3-2+,6-4+
InChIKeyFQIIUXDMRBZBCD-WJPDYIDTSA-N
MW99.13 g/mol
LogP0.57
Rot. Bonds2

About (E)-5-iminopent-3-en-2-ol

(E)-5-iminopent-3-en-2-ol (PubChem CID 163559910) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-5-iminopent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-iminopent-3-en-2-ol
PubChem CID163559910
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-5-iminopent-3-en-2-ol
SMILES[H]/N=C/C=C/C(C)O
InChIInChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-7H,1H3/b3-2+,6-4+
InChIKeyFQIIUXDMRBZBCD-WJPDYIDTSA-N
XLogP0.57
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-iminopent-3-en-2-ol?
The IUPAC name of (E)-5-iminopent-3-en-2-ol (CID 163559910) is (E)-5-iminopent-3-en-2-ol.
What is the SMILES notation for (E)-5-iminopent-3-en-2-ol?
The canonical SMILES for (E)-5-iminopent-3-en-2-ol is [H]/N=C/C=C/C(C)O.
What is the InChIKey of (E)-5-iminopent-3-en-2-ol?
The InChIKey is FQIIUXDMRBZBCD-WJPDYIDTSA-N. The full InChI is InChI=1S/C5H9NO/c1-5(7)3-2-4-6/h2-7H,1H3/b3-2+,6-4+.
What are the key properties of (E)-5-iminopent-3-en-2-ol?
(E)-5-iminopent-3-en-2-ol has a molecular weight of 99.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-iminopent-3-en-2-ol is sourced from PubChem (CID 163559910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).