1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone

C12H16N2O3 — CID 81208117

IUPAC1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-9-11-8-14(4-5-17-11)12(16)6-10-2-1-3-13-7-10/h1-3,7,11,15H,4-6,8-9H2
InChIKeyNBOLFMYCVWJSKH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.16
Rot. Bonds3

About 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone

1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 81208117) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
PubChem CID81208117
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCOC(CO)C1
InChIInChI=1S/C12H16N2O3/c15-9-11-8-14(4-5-17-11)12(16)6-10-2-1-3-13-7-10/h1-3,7,11,15H,4-6,8-9H2
InChIKeyNBOLFMYCVWJSKH-UHFFFAOYSA-N
XLogP-0.16
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone 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-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone (CID 81208117) is 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCOC(CO)C1.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone?
The InChIKey is NBOLFMYCVWJSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-9-11-8-14(4-5-17-11)12(16)6-10-2-1-3-13-7-10/h1-3,7,11,15H,4-6,8-9H2.
What are the key properties of 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone?
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 236.27 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 81208117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).