5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C15H17Cl2N3O2 — CID 167203094

IUPAC5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCN(C)CC(=O)N1CCC2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C15H17Cl2N3O2/c1-19(2)7-13(21)20-4-3-15(8-20)9-5-10(16)11(17)6-12(9)18-14(15)22/h5-6H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyZMXQGGHXERGJOB-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.98
Rot. Bonds2

About 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 167203094) has the molecular formula C15H17Cl2N3O2 and a molecular weight of 342.23 g/mol. Its IUPAC name is 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID167203094
Molecular FormulaC15H17Cl2N3O2
Molecular Weight342.23 g/mol
Exact Mass341.07
IUPAC Name5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCN(C)CC(=O)N1CCC2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12
InChIInChI=1S/C15H17Cl2N3O2/c1-19(2)7-13(21)20-4-3-15(8-20)9-5-10(16)11(17)6-12(9)18-14(15)22/h5-6H,3-4,7-8H2,1-2H3,(H,18,22)
InChIKeyZMXQGGHXERGJOB-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5,6-dichloro-1'-[(2S)-2-hydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203196
(3S)-5,6-dichloro-1'-[(2R)-2,3-dihydroxypropanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167202958
(3S)-5,6-dichloro-1'-(1-methyl-2-oxopyridine-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 172518716
(3S)-5,6-dichloro-1'-[(1S,3S,4S)-3,4-dihydroxycyclohexanecarbonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203391
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
1'-[2-(3-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177058
(3S)-5,6-dichloro-1'-(2-methoxyethylsulfonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 170774122
(3S)-5,6-dichloro-1'-(2H-triazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 167203189
5-methoxy-1'-[3-(4-methoxyphenyl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177050
5-methoxy-1'-(2-phenoxyacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177042
5-methoxy-1'-[2-(2-methylphenyl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177054
(3R)-1'-[2-(6-chloro-3-oxo-1H-isoindol-2-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 168919563

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 167203094) is 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is CN(C)CC(=O)N1CCC2(C1)C(=O)Nc1cc(Cl)c(Cl)cc12.
What is the InChIKey of 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ZMXQGGHXERGJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O2/c1-19(2)7-13(21)20-4-3-15(8-20)9-5-10(16)11(17)6-12(9)18-14(15)22/h5-6H,3-4,7-8H2,1-2H3,(H,18,22).
What are the key properties of 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 342.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1'-[2-(dimethylamino)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 167203094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).