3-(3,6-dihydro-2H-pyran-4-yl)azetidine

C8H13NO — CID 166469368

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)azetidine
SMILESC1=C(C2CNC2)CCOC1
InChIInChI=1S/C8H13NO/c1-3-10-4-2-7(1)8-5-9-6-8/h1,8-9H,2-6H2
InChIKeyFBNDNLSGBHRYBK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.55
Rot. Bonds1

About 3-(3,6-dihydro-2H-pyran-4-yl)azetidine

3-(3,6-dihydro-2H-pyran-4-yl)azetidine (PubChem CID 166469368) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)azetidine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)azetidine
PubChem CID166469368
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)azetidine
SMILESC1=C(C2CNC2)CCOC1
InChIInChI=1S/C8H13NO/c1-3-10-4-2-7(1)8-5-9-6-8/h1,8-9H,2-6H2
InChIKeyFBNDNLSGBHRYBK-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(3,6-dihydro-2H-pyran-4-yl)azetidine 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

3-[(Z)-3-(3,6-dihydro-2H-pyran-4-yl)but-2-en-2-yl]azetidine
CID 144279234
2-(3,6-dihydro-2H-pyran-4-yl)propan-1-amine
CID 105428277
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768
N-(cyclohex-3-en-1-ylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763776
N-(cyclohexylmethyl)-2-(3,6-dihydro-2H-pyran-4-yl)ethanamine
CID 115763777
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpropan-1-amine
CID 115877007
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylbutan-1-amine
CID 115888063
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-5-methylhexan-2-amine
CID 115896007
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpentan-3-amine
CID 115896020
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methylpentan-2-amine
CID 115896027
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-methylbutan-2-amine
CID 115896028
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylpentan-1-amine
CID 115908687

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)azetidine?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)azetidine (CID 166469368) is 3-(3,6-dihydro-2H-pyran-4-yl)azetidine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)azetidine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)azetidine is C1=C(C2CNC2)CCOC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)azetidine?
The InChIKey is FBNDNLSGBHRYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-10-4-2-7(1)8-5-9-6-8/h1,8-9H,2-6H2.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)azetidine?
3-(3,6-dihydro-2H-pyran-4-yl)azetidine has a molecular weight of 139.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-yl)azetidine is sourced from PubChem (CID 166469368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).