(3-acetyloxyiminopropylideneamino) acetate

C7H10N2O4 — CID 123232154

IUPAC(3-acetyloxyiminopropylideneamino) acetate
SMILESCC(=O)ON=CCC=NOC(C)=O
InChIInChI=1S/C7H10N2O4/c1-6(10)12-8-4-3-5-9-13-7(2)11/h4-5H,3H2,1-2H3
InChIKeyXEVAWPCKVZLGTP-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.47
Rot. Bonds4

About (3-acetyloxyiminopropylideneamino) acetate

(3-acetyloxyiminopropylideneamino) acetate (PubChem CID 123232154) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (3-acetyloxyiminopropylideneamino) acetate.

Molecular Properties

Compound Name(3-acetyloxyiminopropylideneamino) acetate
PubChem CID123232154
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(3-acetyloxyiminopropylideneamino) acetate
SMILESCC(=O)ON=CCC=NOC(C)=O
InChIInChI=1S/C7H10N2O4/c1-6(10)12-8-4-3-5-9-13-7(2)11/h4-5H,3H2,1-2H3
InChIKeyXEVAWPCKVZLGTP-UHFFFAOYSA-N
XLogP0.47
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

[(E)-propylideneamino] acetate
CID 87078732
(nonylideneamino) acetate
CID 90921224
[(E)-2-oxopropylideneamino] acetate
CID 88532045
[2-(2,6-dihydroxy-4-methylphenyl)ethylideneamino] acetate
CID 88532282
[(Z)-naphthalen-1-ylmethylideneamino] acetate
CID 100995870
[(4-chlorophenyl)methylideneamino] acetate
CID 57215525
N,N'-dimethoxypropane-1,3-diimine
CID 54222085
[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
CID 87078724
[(E)-(2,6-dichlorophenyl)methylideneamino] acetate
CID 165348151
[3-[(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxospiro[cyclopropane-1,6'-indene]-1'-yl]propylideneamino] acetate
CID 146658212
[(E)-(5-methylthiophen-2-yl)methylideneamino] acetate
CID 11229165
[(E)-oxolan-3-ylmethylideneamino] acetate
CID 87078938

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxyiminopropylideneamino) acetate?
The IUPAC name of (3-acetyloxyiminopropylideneamino) acetate (CID 123232154) is (3-acetyloxyiminopropylideneamino) acetate.
What is the SMILES notation for (3-acetyloxyiminopropylideneamino) acetate?
The canonical SMILES for (3-acetyloxyiminopropylideneamino) acetate is CC(=O)ON=CCC=NOC(C)=O.
What is the InChIKey of (3-acetyloxyiminopropylideneamino) acetate?
The InChIKey is XEVAWPCKVZLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-6(10)12-8-4-3-5-9-13-7(2)11/h4-5H,3H2,1-2H3.
What are the key properties of (3-acetyloxyiminopropylideneamino) acetate?
(3-acetyloxyiminopropylideneamino) acetate has a molecular weight of 186.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxyiminopropylideneamino) acetate is sourced from PubChem (CID 123232154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).