(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

C14H17NO — CID 166444138

IUPAC(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@]12CCCN1C(=O)C[C@H]2c1ccccc1
InChIInChI=1S/C14H17NO/c1-14-8-5-9-15(14)13(16)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyFCYKHZBPDSDEGK-GXTWGEPZSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds1

About (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one

(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 166444138) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID166444138
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@]12CCCN1C(=O)C[C@H]2c1ccccc1
InChIInChI=1S/C14H17NO/c1-14-8-5-9-15(14)13(16)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyFCYKHZBPDSDEGK-GXTWGEPZSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 166444138) is (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@]12CCCN1C(=O)C[C@H]2c1ccccc1.
What is the InChIKey of (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is FCYKHZBPDSDEGK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H17NO/c1-14-8-5-9-15(14)13(16)10-12(14)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-,14+/m0/s1.
What are the key properties of (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 215.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-8-methyl-1-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 166444138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).