cyanic acid;oxiran-2-ylmethanol

C4H7NO3 — CID 175278425

IUPACcyanic acid;oxiran-2-ylmethanol
SMILESN#CO.OCC1CO1
InChIInChI=1S/C3H6O2.CHNO/c4-1-3-2-5-3;2-1-3/h3-4H,1-2H2;3H
InChIKeyYNUYDJHYFWIBBN-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.78
Rot. Bonds1

About cyanic acid;oxiran-2-ylmethanol

cyanic acid;oxiran-2-ylmethanol (PubChem CID 175278425) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is cyanic acid;oxiran-2-ylmethanol.

Molecular Properties

Compound Namecyanic acid;oxiran-2-ylmethanol
PubChem CID175278425
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Namecyanic acid;oxiran-2-ylmethanol
SMILESN#CO.OCC1CO1
InChIInChI=1S/C3H6O2.CHNO/c4-1-3-2-5-3;2-1-3/h3-4H,1-2H2;3H
InChIKeyYNUYDJHYFWIBBN-UHFFFAOYSA-N
XLogP-0.78
TPSA76.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

molecular iodine;oxiran-2-ylmethanol
CID 159687317
oxiran-2-ylmethanol;propane
CID 91466926
oxiran-2-ylmethanol;phosphoric acid
CID 87891587
(5-amino-1,4-dioxan-2-yl)methanol
CID 155158463
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
bicyclo[2.2.2]octa-1,3,5,7-tetraene;oxiran-2-ylmethanol
CID 23187370
[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
CID 155978477
oxiran-2-ylmethanol;propylsilane
CID 174273260
[5-(2-methylpropyl)-1,4-dioxan-2-yl]methanol
CID 153300794
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene
CID 160753688
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
[(2R,4R)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 12832915

Frequently Asked Questions

What is the IUPAC name of cyanic acid;oxiran-2-ylmethanol?
The IUPAC name of cyanic acid;oxiran-2-ylmethanol (CID 175278425) is cyanic acid;oxiran-2-ylmethanol.
What is the SMILES notation for cyanic acid;oxiran-2-ylmethanol?
The canonical SMILES for cyanic acid;oxiran-2-ylmethanol is N#CO.OCC1CO1.
What is the InChIKey of cyanic acid;oxiran-2-ylmethanol?
The InChIKey is YNUYDJHYFWIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.CHNO/c4-1-3-2-5-3;2-1-3/h3-4H,1-2H2;3H.
What are the key properties of cyanic acid;oxiran-2-ylmethanol?
cyanic acid;oxiran-2-ylmethanol has a molecular weight of 117.10 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;oxiran-2-ylmethanol is sourced from PubChem (CID 175278425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).