diethyl N,N'-dihydroxypropanediimidate

C7H14N2O4 — CID 174681376

IUPACdiethyl N,N'-dihydroxypropanediimidate
SMILESCCOC(CC(=NO)OCC)=NO
InChIInChI=1S/C7H14N2O4/c1-3-12-6(8-10)5-7(9-11)13-4-2/h10-11H,3-5H2,1-2H3
InChIKeyAHVIIVUTESTBHI-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.02
Rot. Bonds4

About diethyl N,N'-dihydroxypropanediimidate

diethyl N,N'-dihydroxypropanediimidate (PubChem CID 174681376) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is diethyl N,N'-dihydroxypropanediimidate.

Molecular Properties

Compound Namediethyl N,N'-dihydroxypropanediimidate
PubChem CID174681376
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Namediethyl N,N'-dihydroxypropanediimidate
SMILESCCOC(CC(=NO)OCC)=NO
InChIInChI=1S/C7H14N2O4/c1-3-12-6(8-10)5-7(9-11)13-4-2/h10-11H,3-5H2,1-2H3
InChIKeyAHVIIVUTESTBHI-UHFFFAOYSA-N
XLogP1.02
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-ethoxy-3-hydroxyiminopropanoate
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ethyl (2E)-2-amino-2-hydroxyiminoacetate
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ethyl (1E,2S)-2-amino-N-hydroxypropanimidate
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ethyl 2-hydroxyiminopropanoate
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CID 175796855
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ethyl (NE,1Z)-N-(1-ethoxyethylidene)propanehydrazonate
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Frequently Asked Questions

What is the IUPAC name of diethyl N,N'-dihydroxypropanediimidate?
The IUPAC name of diethyl N,N'-dihydroxypropanediimidate (CID 174681376) is diethyl N,N'-dihydroxypropanediimidate.
What is the SMILES notation for diethyl N,N'-dihydroxypropanediimidate?
The canonical SMILES for diethyl N,N'-dihydroxypropanediimidate is CCOC(CC(=NO)OCC)=NO.
What is the InChIKey of diethyl N,N'-dihydroxypropanediimidate?
The InChIKey is AHVIIVUTESTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-12-6(8-10)5-7(9-11)13-4-2/h10-11H,3-5H2,1-2H3.
What are the key properties of diethyl N,N'-dihydroxypropanediimidate?
diethyl N,N'-dihydroxypropanediimidate has a molecular weight of 190.20 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl N,N'-dihydroxypropanediimidate is sourced from PubChem (CID 174681376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).