hydroperoxyurea;hydrate

CH6N2O4 — CID 57429717

IUPAChydroperoxyurea;hydrate
SMILESNC(=O)NOO.O
InChIInChI=1S/CH4N2O3.H2O/c2-1(4)3-6-5;/h5H,(H3,2,3,4);1H2
InChIKeyYDJVUGGPESLJBU-UHFFFAOYSA-N
MW110.07 g/mol
LogP-1.77
Rot. Bonds1

About hydroperoxyurea;hydrate

hydroperoxyurea;hydrate (PubChem CID 57429717) has the molecular formula CH6N2O4 and a molecular weight of 110.07 g/mol. Its IUPAC name is hydroperoxyurea;hydrate.

Molecular Properties

Compound Namehydroperoxyurea;hydrate
PubChem CID57429717
Molecular FormulaCH6N2O4
Molecular Weight110.07 g/mol
Exact Mass110.03
IUPAC Namehydroperoxyurea;hydrate
SMILESNC(=O)NOO.O
InChIInChI=1S/CH4N2O3.H2O/c2-1(4)3-6-5;/h5H,(H3,2,3,4);1H2
InChIKeyYDJVUGGPESLJBU-UHFFFAOYSA-N
XLogP-1.77
TPSA116.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.07
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(carbamoylamino) N-carbamoylcarbamate
CID 57474139
(carbamoylamino) 2-cyanoacetate
CID 57275563
methylurea;ruthenium
CID 159209634
methylurea;hydrate
CID 141425619
(carbamoylamino) 2,2,2-trifluoroacetate
CID 15556262
ruthenium;urea
CID 161030938
methylurea;hydrate;hydrochloride
CID 172734420
(carbamoylamino) dihydrogen phosphate
CID 57166645
CID 172820708
CID 172820708
carbamoylurea;isocyanic acid;oxalonitrile
CID 174975080
(2-carbamoylhydrazinyl) hydrogen carbonate
CID 87781235
urea;hydrate;hydrobromide
CID 160976680

Frequently Asked Questions

What is the IUPAC name of hydroperoxyurea;hydrate?
The IUPAC name of hydroperoxyurea;hydrate (CID 57429717) is hydroperoxyurea;hydrate.
What is the SMILES notation for hydroperoxyurea;hydrate?
The canonical SMILES for hydroperoxyurea;hydrate is NC(=O)NOO.O.
What is the InChIKey of hydroperoxyurea;hydrate?
The InChIKey is YDJVUGGPESLJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O3.H2O/c2-1(4)3-6-5;/h5H,(H3,2,3,4);1H2.
What are the key properties of hydroperoxyurea;hydrate?
hydroperoxyurea;hydrate has a molecular weight of 110.07 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyurea;hydrate is sourced from PubChem (CID 57429717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).