(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C20H19N3O5 — CID 95103877

IUPAC(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)[C@]1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2
InChIInChI=1S/C20H19N3O5/c1-26-13-3-4-15-14(9-13)20(18(24)22-15)6-7-23(10-20)19(25)21-12-2-5-16-17(8-12)28-11-27-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H,22,24)/t20-/m1/s1
InChIKeyUKUWQBOMMSNQGX-HXUWFJFHSA-N
MW381.39 g/mol
LogP2.55
Rot. Bonds2

About (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 95103877) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID95103877
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCOc1ccc2c(c1)[C@]1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2
InChIInChI=1S/C20H19N3O5/c1-26-13-3-4-15-14(9-13)20(18(24)22-15)6-7-23(10-20)19(25)21-12-2-5-16-17(8-12)28-11-27-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H,22,24)/t20-/m1/s1
InChIKeyUKUWQBOMMSNQGX-HXUWFJFHSA-N
XLogP2.55
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(4-methoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177101
N-(1,3-benzodioxol-5-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177325
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177321
(3R)-5-methoxy-N-(2-methylphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103847
(3S)-N-(2-fluorophenyl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103837
(3R)-N-(3,4-dimethoxyphenyl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95103649
tert-butyl (3S)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 124706343
5-methoxy-2-oxo-N-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177112
(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
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

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 95103877) is (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is COc1ccc2c(c1)[C@]1(CCN(C(=O)Nc3ccc4c(c3)OCO4)C1)C(=O)N2.
What is the InChIKey of (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is UKUWQBOMMSNQGX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-13-3-4-15-14(9-13)20(18(24)22-15)6-7-23(10-20)19(25)21-12-2-5-16-17(8-12)28-11-27-16/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,25)(H,22,24)/t20-/m1/s1.
What are the key properties of (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
(3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1,3-benzodioxol-5-yl)-5-methoxy-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 95103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).