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

C6H10NO- — CID 58104808

IUPAC(Z)-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C=C(/C)[O-]
InChIInChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,8H,1-3H3/p-1/b6-4-,7-5+
InChIKeyPYAOQKGLAPOAIK-XGXWUAJZSA-M
MW112.15 g/mol
LogP0.34
Rot. Bonds1

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

(Z)-4-methyliminopent-2-en-2-olate (PubChem CID 58104808) has the molecular formula C6H10NO- and a molecular weight of 112.15 g/mol. Its IUPAC name is (Z)-4-methyliminopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-methyliminopent-2-en-2-olate
PubChem CID58104808
Molecular FormulaC6H10NO-
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name(Z)-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C=C(/C)[O-]
InChIInChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,8H,1-3H3/p-1/b6-4-,7-5+
InChIKeyPYAOQKGLAPOAIK-XGXWUAJZSA-M
XLogP0.34
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 50.34
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

(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 88941554
(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 89226253
(Z)-4-difluoroboranyloxy-N-methylpent-3-en-2-imine
CID 12092002
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
(Z)-4-iminopent-2-en-2-olate
CID 58104794
(Z)-4-tert-butyliminopent-2-en-2-olate
CID 58104810
4,6-dimethyl-2H-1,3-oxazine
CID 59189020
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyliminopent-2-en-2-olate?
The IUPAC name of (Z)-4-methyliminopent-2-en-2-olate (CID 58104808) is (Z)-4-methyliminopent-2-en-2-olate.
What is the SMILES notation for (Z)-4-methyliminopent-2-en-2-olate?
The canonical SMILES for (Z)-4-methyliminopent-2-en-2-olate is C/N=C(C)/C=C(/C)[O-].
What is the InChIKey of (Z)-4-methyliminopent-2-en-2-olate?
The InChIKey is PYAOQKGLAPOAIK-XGXWUAJZSA-M. The full InChI is InChI=1S/C6H11NO/c1-5(7-3)4-6(2)8/h4,8H,1-3H3/p-1/b6-4-,7-5+.
What are the key properties of (Z)-4-methyliminopent-2-en-2-olate?
(Z)-4-methyliminopent-2-en-2-olate has a molecular weight of 112.15 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyliminopent-2-en-2-olate is sourced from PubChem (CID 58104808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).