(Z)-4-tert-butyliminopent-2-en-2-olate

C9H16NO- — CID 58104810

IUPAC(Z)-4-tert-butyliminopent-2-en-2-olate
SMILESC/C([O-])=C/C(C)=N/C(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,11H,1-5H3/p-1/b8-6-,10-7+
InChIKeyIJHMORRHYYWPEC-GOOBONSCSA-M
MW154.23 g/mol
LogP1.51
Rot. Bonds1

About (Z)-4-tert-butyliminopent-2-en-2-olate

(Z)-4-tert-butyliminopent-2-en-2-olate (PubChem CID 58104810) has the molecular formula C9H16NO- and a molecular weight of 154.23 g/mol. Its IUPAC name is (Z)-4-tert-butyliminopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-tert-butyliminopent-2-en-2-olate
PubChem CID58104810
Molecular FormulaC9H16NO-
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name(Z)-4-tert-butyliminopent-2-en-2-olate
SMILESC/C([O-])=C/C(C)=N/C(C)(C)C
InChIInChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,11H,1-5H3/p-1/b8-6-,10-7+
InChIKeyIJHMORRHYYWPEC-GOOBONSCSA-M
XLogP1.51
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
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

t-Butyl(1,3-dimethyl-2-butenylidene)amine
CID 10975694
(Z)-4-methyliminopent-2-en-2-olate
CID 58104808
(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
(Z)-4-dimethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587309
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
CID 154587315
(Z)-4-diethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587343
lithium (Z)-4-butyliminopent-2-en-2-olate
CID 178130163
Lithium 4-propyliminopent-2-en-2-olate
CID 178130174
sodium (Z)-4-methyliminopent-2-en-2-olate
CID 100988565
(E)-N-tert-butylpent-3-en-2-imine
CID 101023257
(E)-N-tert-butylhex-3-en-2-imine
CID 101023259

Frequently Asked Questions

What is the IUPAC name of (Z)-4-tert-butyliminopent-2-en-2-olate?
The IUPAC name of (Z)-4-tert-butyliminopent-2-en-2-olate (CID 58104810) is (Z)-4-tert-butyliminopent-2-en-2-olate.
What is the SMILES notation for (Z)-4-tert-butyliminopent-2-en-2-olate?
The canonical SMILES for (Z)-4-tert-butyliminopent-2-en-2-olate is C/C([O-])=C/C(C)=N/C(C)(C)C.
What is the InChIKey of (Z)-4-tert-butyliminopent-2-en-2-olate?
The InChIKey is IJHMORRHYYWPEC-GOOBONSCSA-M. The full InChI is InChI=1S/C9H17NO/c1-7(6-8(2)11)10-9(3,4)5/h6,11H,1-5H3/p-1/b8-6-,10-7+.
What are the key properties of (Z)-4-tert-butyliminopent-2-en-2-olate?
(Z)-4-tert-butyliminopent-2-en-2-olate has a molecular weight of 154.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-tert-butyliminopent-2-en-2-olate is sourced from PubChem (CID 58104810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).