1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one

C20H21NO2 — CID 166414441

IUPAC1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-2-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-8,10-13,18,23H,1,9,14-15H2/t18-/m1/s1
InChIKeyKXFRMUDIXMBMLH-GOSISDBHSA-N
MW307.39 g/mol
LogP3.10
Rot. Bonds4

About 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 166414441) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID166414441
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO2/c1-2-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-8,10-13,18,23H,1,9,14-15H2/t18-/m1/s1
InChIKeyKXFRMUDIXMBMLH-GOSISDBHSA-N
XLogP3.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one (CID 166414441) is 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is KXFRMUDIXMBMLH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-19(22)21-15-9-14-18(21)20(23,16-10-5-3-6-11-16)17-12-7-4-8-13-17/h2-8,10-13,18,23H,1,9,14-15H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 307.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166414441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).