5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one

C12H11ClN2O2 — CID 168689136

IUPAC5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(N3CC(Cl)CC3=O)ccc2N1
InChIInChI=1S/C12H11ClN2O2/c13-8-5-12(17)15(6-8)9-1-2-10-7(3-9)4-11(16)14-10/h1-3,8H,4-6H2,(H,14,16)
InChIKeyNVZQRRZMHVJIOB-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.53
Rot. Bonds1

About 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one

5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one (PubChem CID 168689136) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one
PubChem CID168689136
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(N3CC(Cl)CC3=O)ccc2N1
InChIInChI=1S/C12H11ClN2O2/c13-8-5-12(17)15(6-8)9-1-2-10-7(3-9)4-11(16)14-10/h1-3,8H,4-6H2,(H,14,16)
InChIKeyNVZQRRZMHVJIOB-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
4-chloro-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 168689188
4-chloro-1-(3-oxo-1H-2-benzofuran-5-yl)pyrrolidin-2-one
CID 168689659
2-amino-4-(4-chloro-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168689165
4-chloro-1-(1-methylindol-5-yl)pyrrolidin-2-one
CID 168688428
7-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 168509383
4-chloro-1-(2-methylquinolin-6-yl)pyrrolidin-2-one
CID 168688156
5-oxo-1-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pyrrolidine-3-carboxamide
CID 168698309

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one (CID 168689136) is 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one is O=C1Cc2cc(N3CC(Cl)CC3=O)ccc2N1.
What is the InChIKey of 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one?
The InChIKey is NVZQRRZMHVJIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-8-5-12(17)15(6-8)9-1-2-10-7(3-9)4-11(16)14-10/h1-3,8H,4-6H2,(H,14,16).
What are the key properties of 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one?
5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one has a molecular weight of 250.68 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-oxopyrrolidin-1-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 168689136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).