azane;formyl acetate

C3H7NO3 — CID 87373456

IUPACazane;formyl acetate
SMILESCC(=O)OC=O.N
InChIInChI=1S/C3H4O3.H3N/c1-3(5)6-2-4;/h2H,1H3;1H3
InChIKeyMQNXECQMJRINJM-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.13
Rot. Bonds1

About azane;formyl acetate

azane;formyl acetate (PubChem CID 87373456) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is azane;formyl acetate.

Molecular Properties

Compound Nameazane;formyl acetate
PubChem CID87373456
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Nameazane;formyl acetate
SMILESCC(=O)OC=O.N
InChIInChI=1S/C3H4O3.H3N/c1-3(5)6-2-4;/h2H,1H3;1H3
InChIKeyMQNXECQMJRINJM-UHFFFAOYSA-N
XLogP-0.13
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

formyl acetate;trihydrate
CID 174475141
calcium;sodium;formyl acetate;hydride
CID 173454549
acetonitrile;azane;formyl acetate
CID 174795258
formyl 2-oxopropanoate
CID 57478633
ethenyl acetate;ethenyl formate
CID 19370025
ethenyl acetate;formic acid
CID 175608061
acetyloxymethylidenetungsten
CID 158334876
ethenyl acetate
CID 7904
[(E)-prop-1-enyl] acetate
CID 637917
formyloxycarbonyl-λ2-plumbane
CID 173056435
methoxysilane;prop-1-enyl acetate
CID 174837390
ethene;ethenyl acetate;hydrofluoride
CID 158693082

Frequently Asked Questions

What is the IUPAC name of azane;formyl acetate?
The IUPAC name of azane;formyl acetate (CID 87373456) is azane;formyl acetate.
What is the SMILES notation for azane;formyl acetate?
The canonical SMILES for azane;formyl acetate is CC(=O)OC=O.N.
What is the InChIKey of azane;formyl acetate?
The InChIKey is MQNXECQMJRINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O3.H3N/c1-3(5)6-2-4;/h2H,1H3;1H3.
What are the key properties of azane;formyl acetate?
azane;formyl acetate has a molecular weight of 105.09 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formyl acetate is sourced from PubChem (CID 87373456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).