(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one

C11H15N3O2 — CID 95292866

IUPAC(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CC(n3cccn3)C2)C(=O)O1
InChIInChI=1S/C11H15N3O2/c1-8-5-10(11(15)16-8)13-6-9(7-13)14-4-2-3-12-14/h2-4,8-10H,5-7H2,1H3/t8-,10-/m1/s1
InChIKeySVSAMGBTLVQWGK-PSASIEDQSA-N
MW221.26 g/mol
LogP0.44
Rot. Bonds2

About (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one

(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one (PubChem CID 95292866) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one
PubChem CID95292866
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CC(n3cccn3)C2)C(=O)O1
InChIInChI=1S/C11H15N3O2/c1-8-5-10(11(15)16-8)13-6-9(7-13)14-4-2-3-12-14/h2-4,8-10H,5-7H2,1H3/t8-,10-/m1/s1
InChIKeySVSAMGBTLVQWGK-PSASIEDQSA-N
XLogP0.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one (CID 95292866) is (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one is C[C@@H]1C[C@@H](N2CC(n3cccn3)C2)C(=O)O1.
What is the InChIKey of (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one?
The InChIKey is SVSAMGBTLVQWGK-PSASIEDQSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-5-10(11(15)16-8)13-6-9(7-13)14-4-2-3-12-14/h2-4,8-10H,5-7H2,1H3/t8-,10-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one?
(3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-(3-pyrazol-1-ylazetidin-1-yl)oxolan-2-one is sourced from PubChem (CID 95292866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).