1-(3,6-dihydro-2H-pyran-3-yl)azetidine

C8H13NO — CID 91394715

IUPAC1-(3,6-dihydro-2H-pyran-3-yl)azetidine
SMILESC1=CC(N2CCC2)COC1
InChIInChI=1S/C8H13NO/c1-3-8(7-10-6-1)9-4-2-5-9/h1,3,8H,2,4-7H2
InChIKeyDQRCEKXHDSZMKU-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.65
Rot. Bonds1

About 1-(3,6-dihydro-2H-pyran-3-yl)azetidine

1-(3,6-dihydro-2H-pyran-3-yl)azetidine (PubChem CID 91394715) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-3-yl)azetidine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-3-yl)azetidine
PubChem CID91394715
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(3,6-dihydro-2H-pyran-3-yl)azetidine
SMILESC1=CC(N2CCC2)COC1
InChIInChI=1S/C8H13NO/c1-3-8(7-10-6-1)9-4-2-5-9/h1,3,8H,2,4-7H2
InChIKeyDQRCEKXHDSZMKU-UHFFFAOYSA-N
XLogP0.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-3-yl)azetidine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-3-yl)azetidine (CID 91394715) is 1-(3,6-dihydro-2H-pyran-3-yl)azetidine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-3-yl)azetidine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-3-yl)azetidine is C1=CC(N2CCC2)COC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-3-yl)azetidine?
The InChIKey is DQRCEKXHDSZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-8(7-10-6-1)9-4-2-5-9/h1,3,8H,2,4-7H2.
What are the key properties of 1-(3,6-dihydro-2H-pyran-3-yl)azetidine?
1-(3,6-dihydro-2H-pyran-3-yl)azetidine has a molecular weight of 139.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-3-yl)azetidine is sourced from PubChem (CID 91394715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).