azane;carbamoyl phenyl carbonate

C8H10N2O4 — CID 175328775

IUPACazane;carbamoyl phenyl carbonate
SMILESN.NC(=O)OC(=O)Oc1ccccc1
InChIInChI=1S/C8H7NO4.H3N/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H2,9,10);1H3
InChIKeyWFECUUBDHHLKGY-UHFFFAOYSA-N
MW198.18 g/mol
LogP1.44
Rot. Bonds1

About azane;carbamoyl phenyl carbonate

azane;carbamoyl phenyl carbonate (PubChem CID 175328775) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is azane;carbamoyl phenyl carbonate.

Molecular Properties

Compound Nameazane;carbamoyl phenyl carbonate
PubChem CID175328775
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameazane;carbamoyl phenyl carbonate
SMILESN.NC(=O)OC(=O)Oc1ccccc1
InChIInChI=1S/C8H7NO4.H3N/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H2,9,10);1H3
InChIKeyWFECUUBDHHLKGY-UHFFFAOYSA-N
XLogP1.44
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O-phenoxycarbonyl chloromethanethioate
CID 150306756
[(E)-but-2-en-2-yl] phenyl carbonate
CID 121217638
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310
diphenyl carbonate;ethane;molecular iodine
CID 159087497
butane;phenyl carbamate
CID 145076324
phenyl sulfino carbonate
CID 56974658
phenoxycarbonyl 2-methylbut-2-enoate
CID 175490227
phenoxycarbonyl 5-amino-4-oxopentanoate
CID 174601382
ethane;methyl phenyl carbonate
CID 91113838
buta-1,3-diene;diphenyl carbonate
CID 87173366
diphenyl carbonate;phenyl acetate
CID 90936233
dimethyl carbonate;methyl phenyl carbonate
CID 70311897

Frequently Asked Questions

What is the IUPAC name of azane;carbamoyl phenyl carbonate?
The IUPAC name of azane;carbamoyl phenyl carbonate (CID 175328775) is azane;carbamoyl phenyl carbonate.
What is the SMILES notation for azane;carbamoyl phenyl carbonate?
The canonical SMILES for azane;carbamoyl phenyl carbonate is N.NC(=O)OC(=O)Oc1ccccc1.
What is the InChIKey of azane;carbamoyl phenyl carbonate?
The InChIKey is WFECUUBDHHLKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.H3N/c9-7(10)13-8(11)12-6-4-2-1-3-5-6;/h1-5H,(H2,9,10);1H3.
What are the key properties of azane;carbamoyl phenyl carbonate?
azane;carbamoyl phenyl carbonate has a molecular weight of 198.18 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamoyl phenyl carbonate is sourced from PubChem (CID 175328775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).