(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C21H23NO — CID 132551762

IUPAC(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@@H]1C[C@@H]2CC(c3ccccc3)(c3ccccc3)CN2C1=O
InChIInChI=1S/C21H23NO/c1-2-16-13-19-14-21(15-22(19)20(16)23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,2,13-15H2,1H3/t16-,19-/m1/s1
InChIKeyAMZHPZJORXVFQI-VQIMIIECSA-N
MW305.42 g/mol
LogP4.00
Rot. Bonds3

About (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 132551762) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID132551762
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@@H]1C[C@@H]2CC(c3ccccc3)(c3ccccc3)CN2C1=O
InChIInChI=1S/C21H23NO/c1-2-16-13-19-14-21(15-22(19)20(16)23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,2,13-15H2,1H3/t16-,19-/m1/s1
InChIKeyAMZHPZJORXVFQI-VQIMIIECSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 132551762) is (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is CC[C@@H]1C[C@@H]2CC(c3ccccc3)(c3ccccc3)CN2C1=O.
What is the InChIKey of (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is AMZHPZJORXVFQI-VQIMIIECSA-N. The full InChI is InChI=1S/C21H23NO/c1-2-16-13-19-14-21(15-22(19)20(16)23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,2,13-15H2,1H3/t16-,19-/m1/s1.
What are the key properties of (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
(2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 305.42 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-2-ethyl-6,6-diphenyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 132551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).