1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one

C21H24N2O3 — CID 155914854

IUPAC1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1OCCCN1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C21H24N2O3/c1-25-18-9-4-5-10-19(18)26-14-6-13-23-17-8-3-2-7-16(17)21(20(23)24)11-12-22-15-21/h2-5,7-10,22H,6,11-15H2,1H3
InChIKeyWPKONRFKULSCHE-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.74
Rot. Bonds6

About 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 155914854) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID155914854
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccccc1OCCCN1C(=O)C2(CCNC2)c2ccccc21
InChIInChI=1S/C21H24N2O3/c1-25-18-9-4-5-10-19(18)26-14-6-13-23-17-8-3-2-7-16(17)21(20(23)24)11-12-22-15-21/h2-5,7-10,22H,6,11-15H2,1H3
InChIKeyWPKONRFKULSCHE-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1-[(3,4-dimethoxy-2-pyridinyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914640
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155914766
1-methoxyspiro[indole-3,3'-pyrrolidine]-2-one
CID 90695133
1-(cyclopropylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 121229489
1'-[2-(2-methoxyphenoxy)ethyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 3161643
1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 155909321
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 45259112
(3R)-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)-2-oxoethyl]indol-2-one
CID 95244798
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
1-[(3,4-dichlorophenyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 155972674

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 155914854) is 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one is COc1ccccc1OCCCN1C(=O)C2(CCNC2)c2ccccc21.
What is the InChIKey of 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WPKONRFKULSCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-18-9-4-5-10-19(18)26-14-6-13-23-17-8-3-2-7-16(17)21(20(23)24)11-12-22-15-21/h2-5,7-10,22H,6,11-15H2,1H3.
What are the key properties of 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 352.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenoxy)propyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 155914854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).