cyano hydroxy carbonate

C2HNO4 — CID 87497804

IUPACcyano hydroxy carbonate
SMILESN#COC(=O)OO
InChIInChI=1S/C2HNO4/c3-1-6-2(4)7-5/h5H
InChIKeyDOWLWWOFDLAENP-UHFFFAOYSA-N
MW103.03 g/mol
LogP0.09
Rot. Bonds

About cyano hydroxy carbonate

cyano hydroxy carbonate (PubChem CID 87497804) has the molecular formula C2HNO4 and a molecular weight of 103.03 g/mol. Its IUPAC name is cyano hydroxy carbonate.

Molecular Properties

Compound Namecyano hydroxy carbonate
PubChem CID87497804
Molecular FormulaC2HNO4
Molecular Weight103.03 g/mol
Exact Mass102.99
IUPAC Namecyano hydroxy carbonate
SMILESN#COC(=O)OO
InChIInChI=1S/C2HNO4/c3-1-6-2(4)7-5/h5H
InChIKeyDOWLWWOFDLAENP-UHFFFAOYSA-N
XLogP0.09
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.03
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyano hydroxy carbonate?
The IUPAC name of cyano hydroxy carbonate (CID 87497804) is cyano hydroxy carbonate.
What is the SMILES notation for cyano hydroxy carbonate?
The canonical SMILES for cyano hydroxy carbonate is N#COC(=O)OO.
What is the InChIKey of cyano hydroxy carbonate?
The InChIKey is DOWLWWOFDLAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HNO4/c3-1-6-2(4)7-5/h5H.
What are the key properties of cyano hydroxy carbonate?
cyano hydroxy carbonate has a molecular weight of 103.03 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyano hydroxy carbonate is sourced from PubChem (CID 87497804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).