1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C18H24N2O2 — CID 53177144

IUPAC1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CC(C)(C)C)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-17(2,3)11-15(21)20-10-9-18(12-20)13-7-5-6-8-14(13)19(4)16(18)22/h5-8H,9-12H2,1-4H3
InChIKeyXXBWYXQCOTYLIV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.57
Rot. Bonds1

About 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177144) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177144
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)CC(C)(C)C)C2)c2ccccc21
InChIInChI=1S/C18H24N2O2/c1-17(2,3)11-15(21)20-10-9-18(12-20)13-7-5-6-8-14(13)19(4)16(18)22/h5-8H,9-12H2,1-4H3
InChIKeyXXBWYXQCOTYLIV-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
(3R)-1-methyl-1'-(4-methylbenzoyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 95103905
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
CID 95718613

Frequently Asked Questions

What is the IUPAC name of 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177144) is 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CN1C(=O)C2(CCN(C(=O)CC(C)(C)C)C2)c2ccccc21.
What is the InChIKey of 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XXBWYXQCOTYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2,3)11-15(21)20-10-9-18(12-20)13-7-5-6-8-14(13)19(4)16(18)22/h5-8H,9-12H2,1-4H3.
What are the key properties of 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).