(Z)-3-methyl-4-methyliminopent-2-en-2-olate

C7H12NO- — CID 20584277

IUPAC(Z)-3-methyl-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C(C)=C(/C)[O-]
InChIInChI=1S/C7H13NO/c1-5(7(3)9)6(2)8-4/h9H,1-4H3/p-1/b7-5-,8-6+
InChIKeyJNSQLYOHYHTHHS-CGXWXWIYSA-M
MW126.18 g/mol
LogP0.73
Rot. Bonds1

About (Z)-3-methyl-4-methyliminopent-2-en-2-olate

(Z)-3-methyl-4-methyliminopent-2-en-2-olate (PubChem CID 20584277) has the molecular formula C7H12NO- and a molecular weight of 126.18 g/mol. Its IUPAC name is (Z)-3-methyl-4-methyliminopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-3-methyl-4-methyliminopent-2-en-2-olate
PubChem CID20584277
Molecular FormulaC7H12NO-
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC Name(Z)-3-methyl-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C(C)=C(/C)[O-]
InChIInChI=1S/C7H13NO/c1-5(7(3)9)6(2)8-4/h9H,1-4H3/p-1/b7-5-,8-6+
InChIKeyJNSQLYOHYHTHHS-CGXWXWIYSA-M
XLogP0.73
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-methyliminopent-2-en-2-olate?
The IUPAC name of (Z)-3-methyl-4-methyliminopent-2-en-2-olate (CID 20584277) is (Z)-3-methyl-4-methyliminopent-2-en-2-olate.
What is the SMILES notation for (Z)-3-methyl-4-methyliminopent-2-en-2-olate?
The canonical SMILES for (Z)-3-methyl-4-methyliminopent-2-en-2-olate is C/N=C(C)/C(C)=C(/C)[O-].
What is the InChIKey of (Z)-3-methyl-4-methyliminopent-2-en-2-olate?
The InChIKey is JNSQLYOHYHTHHS-CGXWXWIYSA-M. The full InChI is InChI=1S/C7H13NO/c1-5(7(3)9)6(2)8-4/h9H,1-4H3/p-1/b7-5-,8-6+.
What are the key properties of (Z)-3-methyl-4-methyliminopent-2-en-2-olate?
(Z)-3-methyl-4-methyliminopent-2-en-2-olate has a molecular weight of 126.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-methyliminopent-2-en-2-olate is sourced from PubChem (CID 20584277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).