3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate

C11H17NO3 — CID 122496381

IUPAC3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate
SMILESO=C(OCC1CCC=CO1)C1CCCN1
InChIInChI=1S/C11H17NO3/c13-11(10-5-3-6-12-10)15-8-9-4-1-2-7-14-9/h2,7,9-10,12H,1,3-6,8H2
InChIKeyWAZLLKBKTBIHLA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.97
Rot. Bonds3

About 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate

3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate (PubChem CID 122496381) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate
PubChem CID122496381
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate
SMILESO=C(OCC1CCC=CO1)C1CCCN1
InChIInChI=1S/C11H17NO3/c13-11(10-5-3-6-12-10)15-8-9-4-1-2-7-14-9/h2,7,9-10,12H,1,3-6,8H2
InChIKeyWAZLLKBKTBIHLA-UHFFFAOYSA-N
XLogP0.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate?
The IUPAC name of 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate (CID 122496381) is 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate.
What is the SMILES notation for 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate?
The canonical SMILES for 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate is O=C(OCC1CCC=CO1)C1CCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate?
The InChIKey is WAZLLKBKTBIHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-11(10-5-3-6-12-10)15-8-9-4-1-2-7-14-9/h2,7,9-10,12H,1,3-6,8H2.
What are the key properties of 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate?
3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-2-ylmethyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 122496381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).