3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one

C9H15NO2 — CID 176637034

IUPAC3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one
SMILESCC(C)N1CC(C2COC2=O)C1
InChIInChI=1S/C9H15NO2/c1-6(2)10-3-7(4-10)8-5-12-9(8)11/h6-8H,3-5H2,1-2H3
InChIKeyRZPGNQHTRCWHJU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.50
Rot. Bonds2

About 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one

3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one (PubChem CID 176637034) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one.

Molecular Properties

Compound Name3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one
PubChem CID176637034
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one
SMILESCC(C)N1CC(C2COC2=O)C1
InChIInChI=1S/C9H15NO2/c1-6(2)10-3-7(4-10)8-5-12-9(8)11/h6-8H,3-5H2,1-2H3
InChIKeyRZPGNQHTRCWHJU-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one?
The IUPAC name of 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one (CID 176637034) is 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one.
What is the SMILES notation for 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one?
The canonical SMILES for 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one is CC(C)N1CC(C2COC2=O)C1.
What is the InChIKey of 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one?
The InChIKey is RZPGNQHTRCWHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)10-3-7(4-10)8-5-12-9(8)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one?
3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one is sourced from PubChem (CID 176637034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).