oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate

C11H19NO3 — CID 170768301

IUPACoxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CCOC2)C1C
InChIInChI=1S/C11H19NO3/c1-8-3-5-12(9(8)2)11(13)15-10-4-6-14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyVIJUVUURTFHQTJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.64
Rot. Bonds1

About oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate

oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 170768301) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
PubChem CID170768301
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameoxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate
SMILESCC1CCN(C(=O)OC2CCOC2)C1C
InChIInChI=1S/C11H19NO3/c1-8-3-5-12(9(8)2)11(13)15-10-4-6-14-7-10/h8-10H,3-7H2,1-2H3
InChIKeyVIJUVUURTFHQTJ-UHFFFAOYSA-N
XLogP1.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate (CID 170768301) is oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate is CC1CCN(C(=O)OC2CCOC2)C1C.
What is the InChIKey of oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is VIJUVUURTFHQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8-3-5-12(9(8)2)11(13)15-10-4-6-14-7-10/h8-10H,3-7H2,1-2H3.
What are the key properties of oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate?
oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 170768301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).