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'}

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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).