2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one

C20H22N2O — CID 135013839

IUPAC2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one
SMILESC/C(=N\C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H22N2O/c1-16(20(23)22-14-8-9-15-22)21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-16+
InChIKeyRVRFUOUNACUBKF-LTGZKZEYSA-N
MW306.41 g/mol
LogP3.86
Rot. Bonds4

About 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one

2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 135013839) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one
PubChem CID135013839
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one
SMILESC/C(=N\C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1
InChIInChI=1S/C20H22N2O/c1-16(20(23)22-14-8-9-15-22)21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-16+
InChIKeyRVRFUOUNACUBKF-LTGZKZEYSA-N
XLogP3.86
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
CID 108508001
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
N-[(1S,2S)-2-[di(piperidin-1-yl)methylideneamino]-1,2-diphenylethyl]-1,1-di(piperidin-1-yl)methanimine
CID 170562428
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
2-hydroxyimino-1-piperidin-1-ylpropan-1-one
CID 71404866
(2S,3R)-3-hydroxy-2-methyl-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 10399733
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one (CID 135013839) is 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one is C/C(=N\C(c1ccccc1)c1ccccc1)C(=O)N1CCCC1.
What is the InChIKey of 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RVRFUOUNACUBKF-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16(20(23)22-14-8-9-15-22)21-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3/b21-16+.
What are the key properties of 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one?
2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylimino-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 135013839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).