1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H17ClN2O3 — CID 53177037

IUPAC1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3cccc(Cl)c3)C1)C(=O)N2
InChIInChI=1S/C19H17ClN2O3/c1-25-14-5-6-16-15(10-14)19(18(24)21-16)7-8-22(11-19)17(23)12-3-2-4-13(20)9-12/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyXVIIQKOWFZWKST-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.08
Rot. Bonds2

About 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177037) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177037
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3cccc(Cl)c3)C1)C(=O)N2
InChIInChI=1S/C19H17ClN2O3/c1-25-14-5-6-16-15(10-14)19(18(24)21-16)7-8-22(11-19)17(23)12-3-2-4-13(20)9-12/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)
InChIKeyXVIIQKOWFZWKST-UHFFFAOYSA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
(3S)-5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103757
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
tert-butyl (3R)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706344
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
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)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895
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)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177037) is 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3cccc(Cl)c3)C1)C(=O)N2.
What is the InChIKey of 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XVIIQKOWFZWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-25-14-5-6-16-15(10-14)19(18(24)21-16)7-8-22(11-19)17(23)12-3-2-4-13(20)9-12/h2-6,9-10H,7-8,11H2,1H3,(H,21,24).
What are the key properties of 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 356.81 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).