methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate

C7H7NO5 — CID 54686136

IUPACmethyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate
SMILESCOC(=O)Nc1cc(O)cc(=O)o1
InChIInChI=1S/C7H7NO5/c1-12-7(11)8-5-2-4(9)3-6(10)13-5/h2-3,9H,1H3,(H,8,11)
InChIKeyMRZANKDZVSUPML-UHFFFAOYSA-N
MW185.13 g/mol
LogP0.52
Rot. Bonds1

About methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate

methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate (PubChem CID 54686136) has the molecular formula C7H7NO5 and a molecular weight of 185.13 g/mol. Its IUPAC name is methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate
PubChem CID54686136
Molecular FormulaC7H7NO5
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Namemethyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate
SMILESCOC(=O)Nc1cc(O)cc(=O)o1
InChIInChI=1S/C7H7NO5/c1-12-7(11)8-5-2-4(9)3-6(10)13-5/h2-3,9H,1H3,(H,8,11)
InChIKeyMRZANKDZVSUPML-UHFFFAOYSA-N
XLogP0.52
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate?
The IUPAC name of methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate (CID 54686136) is methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate?
The canonical SMILES for methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate is COC(=O)Nc1cc(O)cc(=O)o1.
What is the InChIKey of methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate?
The InChIKey is MRZANKDZVSUPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO5/c1-12-7(11)8-5-2-4(9)3-6(10)13-5/h2-3,9H,1H3,(H,8,11).
What are the key properties of methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate?
methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate has a molecular weight of 185.13 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxy-6-oxopyran-2-yl)carbamate is sourced from PubChem (CID 54686136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).