(Z)-4-iminopent-2-en-2-olate

C5H8NO- — CID 58104794

IUPAC(Z)-4-iminopent-2-en-2-olate
SMILES[H]/N=C(C)/C=C(/C)[O-]
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p-1/b5-3-,6-4+
InChIKeyVMODALSUCIGZIK-CIIODKQPSA-M
MW98.12 g/mol
LogP0.29
Rot. Bonds1

About (Z)-4-iminopent-2-en-2-olate

(Z)-4-iminopent-2-en-2-olate (PubChem CID 58104794) has the molecular formula C5H8NO- and a molecular weight of 98.12 g/mol. Its IUPAC name is (Z)-4-iminopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-iminopent-2-en-2-olate
PubChem CID58104794
Molecular FormulaC5H8NO-
Molecular Weight98.12 g/mol
Exact Mass98.06
IUPAC Name(Z)-4-iminopent-2-en-2-olate
SMILES[H]/N=C(C)/C=C(/C)[O-]
InChIInChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p-1/b5-3-,6-4+
InChIKeyVMODALSUCIGZIK-CIIODKQPSA-M
XLogP0.29
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 50.29
H-Bond Donors ≤ 51
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-methoxypent-3-en-2-imine
CID 12462133
(Z)-4-methyliminopent-2-en-2-olate
CID 58104808
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
4-Methoxypent-3-en-2-imine
CID 91319087
(E)-3-methoxyhex-3-en-2-imine
CID 123163925
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
(E)-4-methoxyhex-3-en-2-imine
CID 123377670
[(Z)-4-iminohex-2-en-2-yl]oxidanium
CID 143043472
(E)-4-ethoxyhex-3-en-2-imine
CID 143506162
[(Z)-4-iminopent-2-en-2-yl]oxidanium
CID 143658651
(Z)-4-imino-5-methylhex-2-en-2-olate
CID 143707882
(Z)-4-methoxyhept-3-en-2-imine
CID 166697543

Frequently Asked Questions

What is the IUPAC name of (Z)-4-iminopent-2-en-2-olate?
The IUPAC name of (Z)-4-iminopent-2-en-2-olate (CID 58104794) is (Z)-4-iminopent-2-en-2-olate.
What is the SMILES notation for (Z)-4-iminopent-2-en-2-olate?
The canonical SMILES for (Z)-4-iminopent-2-en-2-olate is [H]/N=C(C)/C=C(/C)[O-].
What is the InChIKey of (Z)-4-iminopent-2-en-2-olate?
The InChIKey is VMODALSUCIGZIK-CIIODKQPSA-M. The full InChI is InChI=1S/C5H9NO/c1-4(6)3-5(2)7/h3,6-7H,1-2H3/p-1/b5-3-,6-4+.
What are the key properties of (Z)-4-iminopent-2-en-2-olate?
(Z)-4-iminopent-2-en-2-olate has a molecular weight of 98.12 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminopent-2-en-2-olate is sourced from PubChem (CID 58104794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).