1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone

C19H21NO — CID 101393401

IUPAC1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C19H21NO/c1-15-13-19(14-20(15)16(2)21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3
InChIKeyRBDPKOFJFRSYRK-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone

1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone (PubChem CID 101393401) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
PubChem CID101393401
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1C
InChIInChI=1S/C19H21NO/c1-15-13-19(14-20(15)16(2)21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3
InChIKeyRBDPKOFJFRSYRK-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 5378015
Spiro-carboxamide scaffold, 13
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1-Pyrrolidinebutyramide, alpha,alpha-diphenyl-
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CID 526655
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CID 115159
3-Benzyl-1-cyclohexylpyrrolidin-2-one
CID 11673314
1-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901489
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
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CID 4388725
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CID 82657

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone (CID 101393401) is 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone is CC(=O)N1CC(c2ccccc2)(c2ccccc2)CC1C.
What is the InChIKey of 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
The InChIKey is RBDPKOFJFRSYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-13-19(14-20(15)16(2)21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone?
1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone has a molecular weight of 279.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4,4-diphenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 101393401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).