(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone

C12H17NO3 — CID 136538975

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone
SMILESO=C(C1=CCOCC1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H17NO3/c14-11(9-3-5-16-6-4-9)13-7-12(15,8-13)10-1-2-10/h3,10,15H,1-2,4-8H2
InChIKeyWDXILVIJDIHNGN-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.32
Rot. Bonds2

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone (PubChem CID 136538975) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone
PubChem CID136538975
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone
SMILESO=C(C1=CCOCC1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H17NO3/c14-11(9-3-5-16-6-4-9)13-7-12(15,8-13)10-1-2-10/h3,10,15H,1-2,4-8H2
InChIKeyWDXILVIJDIHNGN-UHFFFAOYSA-N
XLogP0.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone 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 (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone (CID 136538975) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone is O=C(C1=CCOCC1)N1CC(O)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone?
The InChIKey is WDXILVIJDIHNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-11(9-3-5-16-6-4-9)13-7-12(15,8-13)10-1-2-10/h3,10,15H,1-2,4-8H2.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone has a molecular weight of 223.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,6-dihydro-2H-pyran-4-yl)methanone is sourced from PubChem (CID 136538975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).