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

C9H13NO3 — CID 130701755

IUPAC3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1=CCCCO1)N1CC(O)C1
InChIInChI=1S/C9H13NO3/c11-7-5-10(6-7)9(12)8-3-1-2-4-13-8/h3,7,11H,1-2,4-6H2
InChIKeyILAYVBXATCGWCN-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.12
Rot. Bonds1

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

3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 130701755) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID130701755
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(C1=CCCCO1)N1CC(O)C1
InChIInChI=1S/C9H13NO3/c11-7-5-10(6-7)9(12)8-3-1-2-4-13-8/h3,7,11H,1-2,4-6H2
InChIKeyILAYVBXATCGWCN-UHFFFAOYSA-N
XLogP-0.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-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

Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 99776373
N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 100909122
N-(2-hydroxypropyl)-N-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 109904634
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111596007
N-(3-hydroxybutyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 112233085
N-(2-hydroxy-2-methylpropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 112267579
3,4-dihydro-2H-pyran-6-yl-(3-methylazetidin-1-yl)methanone
CID 130622019
N-(2-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130666759
2,3-Dihydrofuran-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 130682690

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone (CID 130701755) is 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone is O=C(C1=CCCCO1)N1CC(O)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is ILAYVBXATCGWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-5-10(6-7)9(12)8-3-1-2-4-13-8/h3,7,11H,1-2,4-6H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 183.21 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 130701755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).