[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate

C11H15NO3 — CID 145007592

IUPAC[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate
SMILESO=C(OC[C@H]1CCCO1)C1=CN=CCC1
InChIInChI=1S/C11H15NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h5,7,10H,1-4,6,8H2/t10-/m1/s1
InChIKeyVSAUCYLYYHSENL-SNVBAGLBSA-N
MW209.24 g/mol
LogP1.46
Rot. Bonds3

About [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate

[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate (PubChem CID 145007592) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate
PubChem CID145007592
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate
SMILESO=C(OC[C@H]1CCCO1)C1=CN=CCC1
InChIInChI=1S/C11H15NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h5,7,10H,1-4,6,8H2/t10-/m1/s1
InChIKeyVSAUCYLYYHSENL-SNVBAGLBSA-N
XLogP1.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Butyl 3,4-dihydropyridine-5-carboxylate
CID 158993568
Ethyl 3,4-dihydropyridine-5-carboxylate
CID 159338711
Prop-2-enyl 3,4-dihydropyridine-5-carboxylate
CID 122539128

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate (CID 145007592) is [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate is O=C(OC[C@H]1CCCO1)C1=CN=CCC1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate?
The InChIKey is VSAUCYLYYHSENL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h5,7,10H,1-4,6,8H2/t10-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate?
[(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate has a molecular weight of 209.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 145007592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).