1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one

C12H17NO3 — CID 156851365

IUPAC1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCCOC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C12H17NO3/c1-2-15-9-11-3-4-12(16-11)13-7-5-10(14)6-8-13/h5-8,11-12H,2-4,9H2,1H3/t11-,12+/m0/s1
InChIKeyGBZMCKJRZGKCFG-NWDGAFQWSA-N
MW223.27 g/mol
LogP1.56
Rot. Bonds4

About 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one

1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one (PubChem CID 156851365) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
PubChem CID156851365
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one
SMILESCCOC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1
InChIInChI=1S/C12H17NO3/c1-2-15-9-11-3-4-12(16-11)13-7-5-10(14)6-8-13/h5-8,11-12H,2-4,9H2,1H3/t11-,12+/m0/s1
InChIKeyGBZMCKJRZGKCFG-NWDGAFQWSA-N
XLogP1.56
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one?
The IUPAC name of 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one (CID 156851365) is 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one.
What is the SMILES notation for 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one?
The canonical SMILES for 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one is CCOC[C@@H]1CC[C@H](n2ccc(=O)cc2)O1.
What is the InChIKey of 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one?
The InChIKey is GBZMCKJRZGKCFG-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-15-9-11-3-4-12(16-11)13-7-5-10(14)6-8-13/h5-8,11-12H,2-4,9H2,1H3/t11-,12+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one?
1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one has a molecular weight of 223.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(ethoxymethyl)oxolan-2-yl]pyridin-4-one is sourced from PubChem (CID 156851365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).