(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one

C19H21NO2 — CID 67945722

IUPAC(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-14-17-12-13-18(21)20(17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3/t17-/m0/s1
InChIKeyZECYHDYVRQGCBB-KRWDZBQOSA-N
MW295.38 g/mol
LogP3.41
Rot. Bonds5

About (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one

(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one (PubChem CID 67945722) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
PubChem CID67945722
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOC[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-22-14-17-12-13-18(21)20(17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3/t17-/m0/s1
InChIKeyZECYHDYVRQGCBB-KRWDZBQOSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one (CID 67945722) is (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one is COC[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is ZECYHDYVRQGCBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-14-17-12-13-18(21)20(17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
(5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 67945722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).