(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one

C11H10ClNO2 — CID 125478721

IUPAC(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(c2ccc(Cl)cc2)C[C@@H]1O
InChIInChI=1S/C11H10ClNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1
InChIKeyYHPBPMCHNIYVRZ-JTQLQIEISA-N
MW223.66 g/mol
LogP1.60
Rot. Bonds1

About (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one

(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one (PubChem CID 125478721) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
PubChem CID125478721
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
SMILESC=C1C(=O)N(c2ccc(Cl)cc2)C[C@@H]1O
InChIInChI=1S/C11H10ClNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1
InChIKeyYHPBPMCHNIYVRZ-JTQLQIEISA-N
XLogP1.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.60
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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Related Compounds

(4R)-1-(4-bromophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one
CID 125478526
1-(4-chlorophenyl)-3-methylideneazetidin-2-one
CID 125478534
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
1-(4-bromophenyl)-3-hydroxyazetidin-2-one
CID 141314029
3-(4-chlorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-2-one
CID 84798352
(3R,4S)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67793964

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one (CID 125478721) is (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one is C=C1C(=O)N(c2ccc(Cl)cc2)C[C@@H]1O.
What is the InChIKey of (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
The InChIKey is YHPBPMCHNIYVRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-7-10(14)6-13(11(7)15)9-4-2-8(12)3-5-9/h2-5,10,14H,1,6H2/t10-/m0/s1.
What are the key properties of (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one?
(4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one has a molecular weight of 223.66 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-chlorophenyl)-4-hydroxy-3-methylidenepyrrolidin-2-one is sourced from PubChem (CID 125478721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).