methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate

C9H13NO4 — CID 89146606

IUPACmethyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate
SMILESCOC(=O)N(C)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C9H13NO4/c1-10(9(12)13-2)6-7-4-3-5-8(11)14-7/h3,5,7H,4,6H2,1-2H3/t7-/m1/s1
InChIKeyZZXQONMIIIESIK-SSDOTTSWSA-N
MW199.21 g/mol
LogP0.56
Rot. Bonds2

About methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate

methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate (PubChem CID 89146606) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate
PubChem CID89146606
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate
SMILESCOC(=O)N(C)C[C@H]1CC=CC(=O)O1
InChIInChI=1S/C9H13NO4/c1-10(9(12)13-2)6-7-4-3-5-8(11)14-7/h3,5,7H,4,6H2,1-2H3/t7-/m1/s1
InChIKeyZZXQONMIIIESIK-SSDOTTSWSA-N
XLogP0.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate (CID 89146606) is methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate is COC(=O)N(C)C[C@H]1CC=CC(=O)O1.
What is the InChIKey of methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate?
The InChIKey is ZZXQONMIIIESIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO4/c1-10(9(12)13-2)6-7-4-3-5-8(11)14-7/h3,5,7H,4,6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate?
methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[[(2R)-6-oxo-2,3-dihydropyran-2-yl]methyl]carbamate is sourced from PubChem (CID 89146606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).