6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one

C11H15NO3 — CID 99737462

IUPAC6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
SMILESCc1cc(OC[C@H]2CCCN2)cc(=O)o1
InChIInChI=1S/C11H15NO3/c1-8-5-10(6-11(13)15-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyWJZGRNNCYZDUDC-SECBINFHSA-N
MW209.24 g/mol
LogP1.08
Rot. Bonds3

About 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one

6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one (PubChem CID 99737462) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
PubChem CID99737462
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one
SMILESCc1cc(OC[C@H]2CCCN2)cc(=O)o1
InChIInChI=1S/C11H15NO3/c1-8-5-10(6-11(13)15-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3/t9-/m1/s1
InChIKeyWJZGRNNCYZDUDC-SECBINFHSA-N
XLogP1.08
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
(2S)-2-[(4-methyl-3-propan-2-ylphenoxy)methyl]pyrrolidine
CID 176600541
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[(3-ethoxy-5-nitrophenoxy)methyl]pyrrolidine
CID 80744438
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
6-methyl-4-pyrrolidin-3-yloxypyran-2-one
CID 72716697
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-[(3-methyl-5-nitrophenoxy)methyl]piperidine
CID 112649703
2-[(3-nitro-5-propoxyphenoxy)methyl]pyrrolidine
CID 80744324
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one?
The IUPAC name of 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one (CID 99737462) is 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one.
What is the SMILES notation for 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one?
The canonical SMILES for 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one is Cc1cc(OC[C@H]2CCCN2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one?
The InChIKey is WJZGRNNCYZDUDC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-5-10(6-11(13)15-8)14-7-9-3-2-4-12-9/h5-6,9,12H,2-4,7H2,1H3/t9-/m1/s1.
What are the key properties of 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one?
6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[[(2R)-pyrrolidin-2-yl]methoxy]pyran-2-one is sourced from PubChem (CID 99737462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).