1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one

C16H21ClN2O2 — CID 110020445

IUPAC1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
SMILESCC(O)C1CCN(C2CCN(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C16H21ClN2O2/c1-11(20)12-6-8-18(10-12)15-7-9-19(16(15)21)14-4-2-13(17)3-5-14/h2-5,11-12,15,20H,6-10H2,1H3
InChIKeyQDIFEUQLIPUKRX-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one

1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one (PubChem CID 110020445) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
PubChem CID110020445
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
SMILESCC(O)C1CCN(C2CCN(c3ccc(Cl)cc3)C2=O)C1
InChIInChI=1S/C16H21ClN2O2/c1-11(20)12-6-8-18(10-12)15-7-9-19(16(15)21)14-4-2-13(17)3-5-14/h2-5,11-12,15,20H,6-10H2,1H3
InChIKeyQDIFEUQLIPUKRX-UHFFFAOYSA-N
XLogP2.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 110020239
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
1-(4-chloro-3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one
CID 110020322
1-(3-chloro-4-fluorophenyl)-3-[3-(1-hydroxyethyl)piperidin-1-yl]pyrrolidin-2-one
CID 84597909
1-(3-fluorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]piperidin-2-one
CID 110020111
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-methylpyrrolidine-2,5-dione
CID 107358265
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]cyclopentan-1-one
CID 112626469
4-[(3R)-3-[(3S)-4-(3,5-dichlorophenyl)-3-methylpiperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate
CID 58215123
2-amino-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 119332076
1-(3-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]piperidin-2-one
CID 111380901
(3R)-3-amino-1-(4-chlorophenyl)pyrrolidin-2-one
CID 58714338
3-(4-chlorophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptan-2-one
CID 84798352

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one (CID 110020445) is 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one is CC(O)C1CCN(C2CCN(c3ccc(Cl)cc3)C2=O)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one?
The InChIKey is QDIFEUQLIPUKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11(20)12-6-8-18(10-12)15-7-9-19(16(15)21)14-4-2-13(17)3-5-14/h2-5,11-12,15,20H,6-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one?
1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 110020445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).