methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate

C15H17NO4 — CID 581798

IUPACmethyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate
SMILESCOC(=O)C1CCC2N1C(=O)CC2(O)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-20-14(18)11-7-8-12-15(19,9-13(17)16(11)12)10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3
InChIKeyMCWGPUVEFMDCQH-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.81
Rot. Bonds2

About methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate

methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate (PubChem CID 581798) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate
PubChem CID581798
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate
SMILESCOC(=O)C1CCC2N1C(=O)CC2(O)c1ccccc1
InChIInChI=1S/C15H17NO4/c1-20-14(18)11-7-8-12-15(19,9-13(17)16(11)12)10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3
InChIKeyMCWGPUVEFMDCQH-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The IUPAC name of methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate (CID 581798) is methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate.
What is the SMILES notation for methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The canonical SMILES for methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate is COC(=O)C1CCC2N1C(=O)CC2(O)c1ccccc1.
What is the InChIKey of methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
The InChIKey is MCWGPUVEFMDCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-20-14(18)11-7-8-12-15(19,9-13(17)16(11)12)10-5-3-2-4-6-10/h2-6,11-12,19H,7-9H2,1H3.
What are the key properties of methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate?
methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-hydroxy-5-oxo-7-phenyl-2,3,6,8-tetrahydro-1H-pyrrolizine-3-carboxylate is sourced from PubChem (CID 581798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).