(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one

C23H29NO2 — CID 24765128

IUPAC(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(C(O)(c2cccc(C(C)C)c2)[C@@H]2CCC(=O)N2)c1
InChIInChI=1S/C23H29NO2/c1-15(2)17-7-5-9-19(13-17)23(26,21-11-12-22(25)24-21)20-10-6-8-18(14-20)16(3)4/h5-10,13-16,21,26H,11-12H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyMMKURNPHSCYKKA-NRFANRHFSA-N
MW351.49 g/mol
LogP4.45
Rot. Bonds5

About (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one

(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one (PubChem CID 24765128) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one
PubChem CID24765128
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one
SMILESCC(C)c1cccc(C(O)(c2cccc(C(C)C)c2)[C@@H]2CCC(=O)N2)c1
InChIInChI=1S/C23H29NO2/c1-15(2)17-7-5-9-19(13-17)23(26,21-11-12-22(25)24-21)20-10-6-8-18(14-20)16(3)4/h5-10,13-16,21,26H,11-12H2,1-4H3,(H,24,25)/t21-/m0/s1
InChIKeyMMKURNPHSCYKKA-NRFANRHFSA-N
XLogP4.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one (CID 24765128) is (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one is CC(C)c1cccc(C(O)(c2cccc(C(C)C)c2)[C@@H]2CCC(=O)N2)c1.
What is the InChIKey of (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MMKURNPHSCYKKA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29NO2/c1-15(2)17-7-5-9-19(13-17)23(26,21-11-12-22(25)24-21)20-10-6-8-18(14-20)16(3)4/h5-10,13-16,21,26H,11-12H2,1-4H3,(H,24,25)/t21-/m0/s1.
What are the key properties of (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one?
(5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 351.49 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[hydroxy-bis(3-propan-2-ylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 24765128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).