[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate

C8H11NO4 — CID 15084207

IUPAC[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
SMILESCNC(=O)O[C@@H]1C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C8H11NO4/c1-5-6(10)3-4-7(12-5)13-8(11)9-2/h3-5,7H,1-2H3,(H,9,11)/t5-,7-/m1/s1
InChIKeyNXLVIKNRPKJXPQ-IYSWYEEDSA-N
MW185.18 g/mol
LogP0.21
Rot. Bonds1

About [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate

[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate (PubChem CID 15084207) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
PubChem CID15084207
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate
SMILESCNC(=O)O[C@@H]1C=CC(=O)[C@@H](C)O1
InChIInChI=1S/C8H11NO4/c1-5-6(10)3-4-7(12-5)13-8(11)9-2/h3-5,7H,1-2H3,(H,9,11)/t5-,7-/m1/s1
InChIKeyNXLVIKNRPKJXPQ-IYSWYEEDSA-N
XLogP0.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-5-oxo-2H-pyran-2-yl) acetate
CID 13031642
[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] 2,2-dimethylpropanoate
CID 53230539
(2R,6S)-2,6-dimethyl-2H-pyran-5-one
CID 10749188
(2R,6S)-2-[(2S,3S,6S)-6-[(2S,3S)-6-hydroxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyl-2H-pyran-5-one
CID 102025925
(2-methylcycloprop-2-en-1-yl) N-methylcarbamate
CID 175367622
[(6S)-5-oxo-6-pent-4-enyl-2H-pyran-2-yl] acetate
CID 102430834
(1-methyl-2H-pyridin-2-yl) N-methylcarbamate
CID 141092728
methyl (5-oxo-2H-pyran-2-yl) carbonate
CID 14474060
(2R,6R)-6-methyl-2-(2-methylpropylsulfanyl)-(613C)2H-pyran-5-one
CID 175799619
oxetan-2-yl N-methylcarbamate
CID 20764471
[(6S)-6-[(E)-5-methoxy-5-oxopent-3-enyl]-5-oxo-2H-pyran-2-yl] benzoate
CID 131964383
methyl 5-methoxy-2-methyl-2,5-dihydrofuran-3-carboxylate
CID 135006582

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate?
The IUPAC name of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate (CID 15084207) is [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate.
What is the SMILES notation for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate?
The canonical SMILES for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate is CNC(=O)O[C@@H]1C=CC(=O)[C@@H](C)O1.
What is the InChIKey of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate?
The InChIKey is NXLVIKNRPKJXPQ-IYSWYEEDSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5-6(10)3-4-7(12-5)13-8(11)9-2/h3-5,7H,1-2H3,(H,9,11)/t5-,7-/m1/s1.
What are the key properties of [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate?
[(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate has a molecular weight of 185.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methyl-5-oxo-2H-pyran-2-yl] N-methylcarbamate is sourced from PubChem (CID 15084207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).