5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

C13H13ClN2O2 — CID 110742298

IUPAC5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3cc(Cl)ccc32)N1
InChIInChI=1S/C13H13ClN2O2/c14-9-1-3-11-8(7-9)5-6-16(11)13(18)10-2-4-12(17)15-10/h1,3,7,10H,2,4-6H2,(H,15,17)
InChIKeyAIDHQGQDUSDUTB-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.51
Rot. Bonds1

About 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one

5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (PubChem CID 110742298) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
PubChem CID110742298
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3cc(Cl)ccc32)N1
InChIInChI=1S/C13H13ClN2O2/c14-9-1-3-11-8(7-9)5-6-16(11)13(18)10-2-4-12(17)15-10/h1,3,7,10H,2,4-6H2,(H,15,17)
InChIKeyAIDHQGQDUSDUTB-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Chloro-2-methyl-phenyl)-2-pyrrolidin-1-yl-acetamide
CID 6493742
3-[(2S,4S)-4-(5-chloro-1-indolinyl)-2-pyrrolidinylcarbonyl]-1,3-thiazolidine
CID 44422444
N-(4-chloro-2-methylphenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219810
N-(4-chlorophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 4824820
1-[2-(4-chlorophenyl)acetyl]-N-methyl-2,3-dihydroindole-2-carboxamide
CID 44014659
N-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 3124661
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxamide
CID 76072582
N-[2-(4-Chlorophenyl)ethyl]-1-propanoyl-2,3-dihydro-1H-indole-2-carboxamide
CID 16027597
N-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 16031607
N-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 3411360
2-(4-chlorophenyl)-N-cyclopentyl-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 4198088
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 46216457

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one (CID 110742298) is 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CCc3cc(Cl)ccc32)N1.
What is the InChIKey of 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
The InChIKey is AIDHQGQDUSDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-1-3-11-8(7-9)5-6-16(11)13(18)10-2-4-12(17)15-10/h1,3,7,10H,2,4-6H2,(H,15,17).
What are the key properties of 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one?
5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one has a molecular weight of 264.71 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110742298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).