(1-ethoxypropylideneamino) acetate

C7H13NO3 — CID 157010726

IUPAC(1-ethoxypropylideneamino) acetate
SMILESCCOC(CC)=NOC(C)=O
InChIInChI=1S/C7H13NO3/c1-4-7(10-5-2)8-11-6(3)9/h4-5H2,1-3H3
InChIKeyVJWVXOSNKDXZBR-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.31
Rot. Bonds3

About (1-ethoxypropylideneamino) acetate

(1-ethoxypropylideneamino) acetate (PubChem CID 157010726) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (1-ethoxypropylideneamino) acetate.

Molecular Properties

Compound Name(1-ethoxypropylideneamino) acetate
PubChem CID157010726
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(1-ethoxypropylideneamino) acetate
SMILESCCOC(CC)=NOC(C)=O
InChIInChI=1S/C7H13NO3/c1-4-7(10-5-2)8-11-6(3)9/h4-5H2,1-3H3
InChIKeyVJWVXOSNKDXZBR-UHFFFAOYSA-N
XLogP1.31
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-acetyloxyimino-3-oxobutanoate
CID 5355495
alumane;ethyl propanoate
CID 174257559
bis(butan-2-one);ethyl acetate
CID 162133586
ethane;ethyl acetate;urea
CID 142544694
CID 162314144
CID 162314144
[(E)-3,4-dioxohexan-2-ylideneamino] acetate
CID 88531746
ethyl acetate;hydroiodide
CID 159926796
ethyl acetate;λ2-plumbane
CID 173068495
ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;trihydrochloride
CID 141039771
CID 157409555
CID 157409555

Frequently Asked Questions

What is the IUPAC name of (1-ethoxypropylideneamino) acetate?
The IUPAC name of (1-ethoxypropylideneamino) acetate (CID 157010726) is (1-ethoxypropylideneamino) acetate.
What is the SMILES notation for (1-ethoxypropylideneamino) acetate?
The canonical SMILES for (1-ethoxypropylideneamino) acetate is CCOC(CC)=NOC(C)=O.
What is the InChIKey of (1-ethoxypropylideneamino) acetate?
The InChIKey is VJWVXOSNKDXZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(10-5-2)8-11-6(3)9/h4-5H2,1-3H3.
What are the key properties of (1-ethoxypropylideneamino) acetate?
(1-ethoxypropylideneamino) acetate has a molecular weight of 159.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxypropylideneamino) acetate is sourced from PubChem (CID 157010726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).