(5S)-5-benzhydrylpyrrolidin-2-one

C17H17NO — CID 10634509

IUPAC(5S)-5-benzhydrylpyrrolidin-2-one
SMILESO=C1CC[C@@H](C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H17NO/c19-16-12-11-15(18-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyYWDYCEQRCQQORG-HNNXBMFYSA-N
MW251.33 g/mol
LogP3.10
Rot. Bonds3

About (5S)-5-benzhydrylpyrrolidin-2-one

(5S)-5-benzhydrylpyrrolidin-2-one (PubChem CID 10634509) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (5S)-5-benzhydrylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-benzhydrylpyrrolidin-2-one
PubChem CID10634509
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(5S)-5-benzhydrylpyrrolidin-2-one
SMILESO=C1CC[C@@H](C(c2ccccc2)c2ccccc2)N1
InChIInChI=1S/C17H17NO/c19-16-12-11-15(18-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyYWDYCEQRCQQORG-HNNXBMFYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzhydrylpyrrolidin-2-one?
The IUPAC name of (5S)-5-benzhydrylpyrrolidin-2-one (CID 10634509) is (5S)-5-benzhydrylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-benzhydrylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-benzhydrylpyrrolidin-2-one is O=C1CC[C@@H](C(c2ccccc2)c2ccccc2)N1.
What is the InChIKey of (5S)-5-benzhydrylpyrrolidin-2-one?
The InChIKey is YWDYCEQRCQQORG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO/c19-16-12-11-15(18-16)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (5S)-5-benzhydrylpyrrolidin-2-one?
(5S)-5-benzhydrylpyrrolidin-2-one has a molecular weight of 251.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzhydrylpyrrolidin-2-one is sourced from PubChem (CID 10634509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).