diethyl 2-(ethylaminomethylidene)propanedioate

C10H17NO4 — CID 13197984

IUPACdiethyl 2-(ethylaminomethylidene)propanedioate
SMILESCCNC=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-11-7-8(9(12)14-5-2)10(13)15-6-3/h7,11H,4-6H2,1-3H3
InChIKeyLTZFQVCKGCWSKN-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.61
Rot. Bonds6

About diethyl 2-(ethylaminomethylidene)propanedioate

diethyl 2-(ethylaminomethylidene)propanedioate (PubChem CID 13197984) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is diethyl 2-(ethylaminomethylidene)propanedioate.

Molecular Properties

Compound Namediethyl 2-(ethylaminomethylidene)propanedioate
PubChem CID13197984
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namediethyl 2-(ethylaminomethylidene)propanedioate
SMILESCCNC=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H17NO4/c1-4-11-7-8(9(12)14-5-2)10(13)15-6-3/h7,11H,4-6H2,1-3H3
InChIKeyLTZFQVCKGCWSKN-UHFFFAOYSA-N
XLogP0.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-[(pentylamino)methylidene]propanedioate
CID 87770755
diethyl 2-[(2,2-dimethylhydrazinyl)methylidene]propanedioate
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CID 159370772
CID 159370772
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Frequently Asked Questions

What is the IUPAC name of diethyl 2-(ethylaminomethylidene)propanedioate?
The IUPAC name of diethyl 2-(ethylaminomethylidene)propanedioate (CID 13197984) is diethyl 2-(ethylaminomethylidene)propanedioate.
What is the SMILES notation for diethyl 2-(ethylaminomethylidene)propanedioate?
The canonical SMILES for diethyl 2-(ethylaminomethylidene)propanedioate is CCNC=C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-(ethylaminomethylidene)propanedioate?
The InChIKey is LTZFQVCKGCWSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-11-7-8(9(12)14-5-2)10(13)15-6-3/h7,11H,4-6H2,1-3H3.
What are the key properties of diethyl 2-(ethylaminomethylidene)propanedioate?
diethyl 2-(ethylaminomethylidene)propanedioate has a molecular weight of 215.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(ethylaminomethylidene)propanedioate is sourced from PubChem (CID 13197984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).