formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane

C24H35NO3 — CID 143719686

IUPACformic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
SMILESCCC.CCC.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1.O=CO
InChIInChI=1S/C17H17NO.2C3H8.CH2O2/c19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;2*1-3-2;2-1-3/h1-9,16H,10-12H2,(H,18,19);2*3H2,1-2H3;1H,(H,2,3)/t16-;;;/m0.../s1
InChIKeyUOXNNXKJPGSRAT-OKUPDQQSSA-N
MW385.55 g/mol
LogP5.71
Rot. Bonds3

About formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane

formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane (PubChem CID 143719686) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane.

Molecular Properties

Compound Nameformic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
PubChem CID143719686
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Nameformic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane
SMILESCCC.CCC.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1.O=CO
InChIInChI=1S/C17H17NO.2C3H8.CH2O2/c19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;2*1-3-2;2-1-3/h1-9,16H,10-12H2,(H,18,19);2*3H2,1-2H3;1H,(H,2,3)/t16-;;;/m0.../s1
InChIKeyUOXNNXKJPGSRAT-OKUPDQQSSA-N
XLogP5.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-benzylpyrrolidin-2-one
CID 740530
(5S)-1-benzyl-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one
CID 157283864
(5S)-2-methylidene-5-[(4-phenylphenyl)methyl]pyrrolidine
CID 143719660
4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
1-[(5-oxopyrrolidin-2-yl)methyl]-3-[2-(4-phenylphenyl)ethyl]-1-propan-2-ylurea
CID 138045164
(3R,5S)-3-methyl-5-[(4-phenylphenyl)methyl]pyrrolidine-2-carbaldehyde
CID 174601428
5-[(4-bromo-3-methylphenyl)methyl]pyrrolidin-2-one
CID 104687060
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 104687017
(5R)-5-[[2-(2-methylprop-2-enyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
CID 157015137
6-[(4-chlorophenyl)methyl]piperidin-2-one;ethane
CID 142132062
(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
CID 123624620
5-[(2-ethoxyphenyl)methyl]pyrrolidin-2-one
CID 104687160

Frequently Asked Questions

What is the IUPAC name of formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane?
The IUPAC name of formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane (CID 143719686) is formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane.
What is the SMILES notation for formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane?
The canonical SMILES for formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane is CCC.CCC.O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)N1.O=CO.
What is the InChIKey of formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane?
The InChIKey is UOXNNXKJPGSRAT-OKUPDQQSSA-N. The full InChI is InChI=1S/C17H17NO.2C3H8.CH2O2/c19-17-11-10-16(18-17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14;2*1-3-2;2-1-3/h1-9,16H,10-12H2,(H,18,19);2*3H2,1-2H3;1H,(H,2,3)/t16-;;;/m0.../s1.
What are the key properties of formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane?
formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane has a molecular weight of 385.55 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(5S)-5-[(4-phenylphenyl)methyl]pyrrolidin-2-one;propane is sourced from PubChem (CID 143719686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).