(Z)-5-iminohex-3-en-3-olate

C6H10NO- — CID 177418479

IUPAC(Z)-5-iminohex-3-en-3-olate
SMILES[H]/N=C(C)/C=C(\[O-])CC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h4,7-8H,3H2,1-2H3/p-1/b6-4-,7-5+
InChIKeyPKOGOSDESNLVRT-XGXWUAJZSA-M
MW112.15 g/mol
LogP0.68
Rot. Bonds2

About (Z)-5-iminohex-3-en-3-olate

(Z)-5-iminohex-3-en-3-olate (PubChem CID 177418479) has the molecular formula C6H10NO- and a molecular weight of 112.15 g/mol. Its IUPAC name is (Z)-5-iminohex-3-en-3-olate.

Molecular Properties

Compound Name(Z)-5-iminohex-3-en-3-olate
PubChem CID177418479
Molecular FormulaC6H10NO-
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name(Z)-5-iminohex-3-en-3-olate
SMILES[H]/N=C(C)/C=C(\[O-])CC
InChIInChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h4,7-8H,3H2,1-2H3/p-1/b6-4-,7-5+
InChIKeyPKOGOSDESNLVRT-XGXWUAJZSA-M
XLogP0.68
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.68
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-iminopent-2-en-2-olate
CID 58104794
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-iminohex-3-en-3-olate?
The IUPAC name of (Z)-5-iminohex-3-en-3-olate (CID 177418479) is (Z)-5-iminohex-3-en-3-olate.
What is the SMILES notation for (Z)-5-iminohex-3-en-3-olate?
The canonical SMILES for (Z)-5-iminohex-3-en-3-olate is [H]/N=C(C)/C=C(\[O-])CC.
What is the InChIKey of (Z)-5-iminohex-3-en-3-olate?
The InChIKey is PKOGOSDESNLVRT-XGXWUAJZSA-M. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)4-5(2)7/h4,7-8H,3H2,1-2H3/p-1/b6-4-,7-5+.
What are the key properties of (Z)-5-iminohex-3-en-3-olate?
(Z)-5-iminohex-3-en-3-olate has a molecular weight of 112.15 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-iminohex-3-en-3-olate is sourced from PubChem (CID 177418479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).