1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione

C14H21NO4 — CID 157401710

IUPAC1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione
SMILESCO[C@@H]1[C@H](C)[C@@H](C(C)C)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C14H21NO4/c1-8(2)12-9(3)13(18-4)14(19-12)15-6-5-10(16)7-11(15)17/h5-6,8-9,12-14H,7H2,1-4H3/t9-,12-,13-,14-/m1/s1
InChIKeyDQKCQUXAGNMOCX-ICGCDAGXSA-N
MW267.32 g/mol
LogP1.33
Rot. Bonds3

About 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione

1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione (PubChem CID 157401710) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione
PubChem CID157401710
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione
SMILESCO[C@@H]1[C@H](C)[C@@H](C(C)C)O[C@H]1N1C=CC(=O)CC1=O
InChIInChI=1S/C14H21NO4/c1-8(2)12-9(3)13(18-4)14(19-12)15-6-5-10(16)7-11(15)17/h5-6,8-9,12-14H,7H2,1-4H3/t9-,12-,13-,14-/m1/s1
InChIKeyDQKCQUXAGNMOCX-ICGCDAGXSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione (CID 157401710) is 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione is CO[C@@H]1[C@H](C)[C@@H](C(C)C)O[C@H]1N1C=CC(=O)CC1=O.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione?
The InChIKey is DQKCQUXAGNMOCX-ICGCDAGXSA-N. The full InChI is InChI=1S/C14H21NO4/c1-8(2)12-9(3)13(18-4)14(19-12)15-6-5-10(16)7-11(15)17/h5-6,8-9,12-14H,7H2,1-4H3/t9-,12-,13-,14-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione?
1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione has a molecular weight of 267.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-methoxy-4-methyl-5-propan-2-yloxolan-2-yl]pyridine-2,4-dione is sourced from PubChem (CID 157401710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).