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

C19H21NO2 — CID 19987186

IUPAC1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOCC1CCC(=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
InChIKeyZECYHDYVRQGCBB-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.41
Rot. Bonds5

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

1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one (PubChem CID 19987186) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
PubChem CID19987186
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one
SMILESCOCC1CCC(=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
InChIKeyZECYHDYVRQGCBB-UHFFFAOYSA-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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Related Compounds

(4-Benzhydrylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 3860526
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
N-(diphenylmethyl)oxolane-2-carboxamide
CID 3155117
(S)-tert-butyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10564332
methyl (2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 42127453
methyl (2S)-1-benzhydryl-5-oxopyrrolidine-2-carboxylate
CID 14630708
(2S)-1-[(2-benzylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 44427031
8-[Bis(4-fluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 52943120
(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 57393180
(2R)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 57403617
1-[(2S)-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidin-1-yl]ethanone
CID 145964685
1-[(2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidin-1-yl]ethanone
CID 145975148

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one (CID 19987186) is 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one is COCC1CCC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
The InChIKey is ZECYHDYVRQGCBB-UHFFFAOYSA-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.
What are the key properties of 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one?
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 1-benzhydryl-5-(methoxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).