3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine

C11H19NO — CID 167303069

IUPAC3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C2=CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-11(8-12)10-3-5-13-6-4-10/h3,9,11H,4-8H2,1-2H3
InChIKeyZZHXCVVYOLTYAR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine

3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine (PubChem CID 167303069) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine
PubChem CID167303069
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C2=CCOCC2)C1
InChIInChI=1S/C11H19NO/c1-9(2)12-7-11(8-12)10-3-5-13-6-4-10/h3,9,11H,4-8H2,1-2H3
InChIKeyZZHXCVVYOLTYAR-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.67
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 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine (CID 167303069) is 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine is CC(C)N1CC(C2=CCOCC2)C1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine?
The InChIKey is ZZHXCVVYOLTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)12-7-11(8-12)10-3-5-13-6-4-10/h3,9,11H,4-8H2,1-2H3.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine?
3-(3,6-dihydro-2H-pyran-4-yl)-1-propan-2-ylazetidine has a molecular weight of 181.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 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)-1-propan-2-ylazetidine is sourced from PubChem (CID 167303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).