1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C18H15ClN2O2 — CID 53176932

IUPAC1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cccc(Cl)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-13-5-3-4-12(10-13)16(22)21-9-8-18(11-21)14-6-1-2-7-15(14)20-17(18)23/h1-7,10H,8-9,11H2,(H,20,23)
InChIKeyDKRYXWRDTIVLGJ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.08
Rot. Bonds1

About 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53176932) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53176932
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cccc(Cl)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-13-5-3-4-12(10-13)16(22)21-9-8-18(11-21)14-6-1-2-7-15(14)20-17(18)23/h1-7,10H,8-9,11H2,(H,20,23)
InChIKeyDKRYXWRDTIVLGJ-UHFFFAOYSA-N
XLogP3.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177037
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167896087
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
(3R)-1'-(2,2,2-trifluoroacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 125183618
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 168919563
1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
1'-[5-(triazol-1-yl)pyridine-3-carbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 138993220
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938

Frequently Asked Questions

What is the IUPAC name of 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53176932) is 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1cccc(Cl)c1)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DKRYXWRDTIVLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-13-5-3-4-12(10-13)16(22)21-9-8-18(11-21)14-6-1-2-7-15(14)20-17(18)23/h1-7,10H,8-9,11H2,(H,20,23).
What are the key properties of 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 326.78 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53176932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).