(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C21H22N2O4 — CID 95103895

IUPAC(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C(=O)COc3cccc(C)c3)C1)C(=O)N2
InChIInChI=1S/C21H22N2O4/c1-14-4-3-5-16(10-14)27-12-19(24)23-9-8-21(13-23)17-11-15(26-2)6-7-18(17)22-20(21)25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyQXZLNNGQQZZXGU-NRFANRHFSA-N
MW366.42 g/mol
LogP2.50
Rot. Bonds4

About (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 95103895) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID95103895
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)[C@@]1(CCN(C(=O)COc3cccc(C)c3)C1)C(=O)N2
InChIInChI=1S/C21H22N2O4/c1-14-4-3-5-16(10-14)27-12-19(24)23-9-8-21(13-23)17-11-15(26-2)6-7-18(17)22-20(21)25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyQXZLNNGQQZZXGU-NRFANRHFSA-N
XLogP2.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(3S)-1'-[2-(2-chloro-4-methoxyphenyl)acetyl]-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103769
(3S)-5-methoxy-1'-(4-methylbenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103698
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
1'-(3-chlorobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53177037
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
(3S)-1'-(2-bromobenzoyl)-5-methoxyspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103735
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
5-methoxy-1-methyl-1'-(2-phenoxyacetyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 53177255
5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101

Frequently Asked Questions

What is the IUPAC name of (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 95103895) is (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)[C@@]1(CCN(C(=O)COc3cccc(C)c3)C1)C(=O)N2.
What is the InChIKey of (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QXZLNNGQQZZXGU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-4-3-5-16(10-14)27-12-19(24)23-9-8-21(13-23)17-11-15(26-2)6-7-18(17)22-20(21)25/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 95103895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).