methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate

C9H14N2O4 — CID 54214825

IUPACmethyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate
SMILESCON=C(C(=O)C=CN(C)C)C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-11(2)6-5-7(12)8(10-15-4)9(13)14-3/h5-6H,1-4H3
InChIKeyPYKWMGABULCPCG-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.19
Rot. Bonds5

About methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate

methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate (PubChem CID 54214825) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate.

Molecular Properties

Compound Namemethyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate
PubChem CID54214825
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate
SMILESCON=C(C(=O)C=CN(C)C)C(=O)OC
InChIInChI=1S/C9H14N2O4/c1-11(2)6-5-7(12)8(10-15-4)9(13)14-3/h5-6H,1-4H3
InChIKeyPYKWMGABULCPCG-UHFFFAOYSA-N
XLogP-0.19
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate?
The IUPAC name of methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate (CID 54214825) is methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate.
What is the SMILES notation for methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate?
The canonical SMILES for methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate is CON=C(C(=O)C=CN(C)C)C(=O)OC.
What is the InChIKey of methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate?
The InChIKey is PYKWMGABULCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-11(2)6-5-7(12)8(10-15-4)9(13)14-3/h5-6H,1-4H3.
What are the key properties of methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate?
methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate has a molecular weight of 214.22 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(dimethylamino)-2-methoxyimino-3-oxopent-4-enoate is sourced from PubChem (CID 54214825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).