1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

C21H26N4O2 — CID 157018992

IUPAC1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CCN1C(=O)C2(CCN(C(=O)c3cn(C)cn3)C2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-15(2)8-10-25-18-7-5-4-6-16(18)21(20(25)27)9-11-24(13-21)19(26)17-12-23(3)14-22-17/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyAIXJYWIDKUHQCT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157018992) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157018992
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC(C)CCN1C(=O)C2(CCN(C(=O)c3cn(C)cn3)C2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c1-15(2)8-10-25-18-7-5-4-6-16(18)21(20(25)27)9-11-24(13-21)19(26)17-12-23(3)14-22-17/h4-7,12,14-15H,8-11,13H2,1-3H3
InChIKeyAIXJYWIDKUHQCT-UHFFFAOYSA-N
XLogP2.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 157017676
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083
1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018402
(3R)-1'-[(1R,2R)-2-methylcyclopropanecarbonyl]-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 124825124
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70717778
ethyl (3S)-1-(1-methylimidazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 99841039
2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581028
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
1'-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1-(2-hydroxyethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157010939

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 157018992) is 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is CC(C)CCN1C(=O)C2(CCN(C(=O)c3cn(C)cn3)C2)c2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is AIXJYWIDKUHQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(2)8-10-25-18-7-5-4-6-16(18)21(20(25)27)9-11-24(13-21)19(26)17-12-23(3)14-22-17/h4-7,12,14-15H,8-11,13H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157018992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).