(E)-4-iminopent-2-en-3-ol

C5H9NO — CID 165128745

IUPAC(E)-4-iminopent-2-en-3-ol
SMILES[H]/N=C(C)/C(O)=C\C
InChIInChI=1S/C5H9NO/c1-3-5(7)4(2)6/h3,6-7H,1-2H3/b5-3+,6-4+
InChIKeyWOCKCDXQHYHZLI-GGWOSOGESA-N
MW99.13 g/mol
LogP1.49
Rot. Bonds1

About (E)-4-iminopent-2-en-3-ol

(E)-4-iminopent-2-en-3-ol (PubChem CID 165128745) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (E)-4-iminopent-2-en-3-ol.

Molecular Properties

Compound Name(E)-4-iminopent-2-en-3-ol
PubChem CID165128745
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(E)-4-iminopent-2-en-3-ol
SMILES[H]/N=C(C)/C(O)=C\C
InChIInChI=1S/C5H9NO/c1-3-5(7)4(2)6/h3,6-7H,1-2H3/b5-3+,6-4+
InChIKeyWOCKCDXQHYHZLI-GGWOSOGESA-N
XLogP1.49
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-iminopent-2-en-2-olate
CID 58104794
(Z)-4-hydroxy-5-iminohex-3-en-2-one
CID 59237850
4-Hydroxy-5-iminohex-3-en-2-one
CID 72240777
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
[(Z)-4-iminohex-2-en-2-yl]oxidanium
CID 143043472
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
6-Iminocyclohexa-1,4-dien-1-ol
CID 159333352
(E)-5-iminohept-3-en-4-ol
CID 163982995
(E)-4-iminopent-2-en-3-ol;pent-1-ene
CID 165128744
(Z,4E)-4-hydroxyiminopent-2-en-3-ol
CID 15392833
(3E)-2-iminohexa-3,5-dien-3-ol
CID 143063135
(Z)-5-iminohex-3-en-3-olate
CID 177418479

Frequently Asked Questions

What is the IUPAC name of (E)-4-iminopent-2-en-3-ol?
The IUPAC name of (E)-4-iminopent-2-en-3-ol (CID 165128745) is (E)-4-iminopent-2-en-3-ol.
What is the SMILES notation for (E)-4-iminopent-2-en-3-ol?
The canonical SMILES for (E)-4-iminopent-2-en-3-ol is [H]/N=C(C)/C(O)=C\C.
What is the InChIKey of (E)-4-iminopent-2-en-3-ol?
The InChIKey is WOCKCDXQHYHZLI-GGWOSOGESA-N. The full InChI is InChI=1S/C5H9NO/c1-3-5(7)4(2)6/h3,6-7H,1-2H3/b5-3+,6-4+.
What are the key properties of (E)-4-iminopent-2-en-3-ol?
(E)-4-iminopent-2-en-3-ol has a molecular weight of 99.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-iminopent-2-en-3-ol is sourced from PubChem (CID 165128745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).