1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

C16H20N2O2 — CID 53177130

IUPAC1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCCC(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-6-14(19)18-10-9-16(11-18)12-7-4-5-8-13(12)17(2)15(16)20/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyRCWDEFYEZZZTPW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds2

About 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one

1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177130) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID53177130
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCCCC(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-6-14(19)18-10-9-16(11-18)12-7-4-5-8-13(12)17(2)15(16)20/h4-5,7-8H,3,6,9-11H2,1-2H3
InChIKeyRCWDEFYEZZZTPW-UHFFFAOYSA-N
XLogP1.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(3,3-dimethylbutanoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177144
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'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
N-[4-[(3S)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-4-oxobutyl]acetamide
CID 95718613
(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
(3R)-N-(4-ethoxyphenyl)-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104043
(3S)-1'-(4-fluorobenzoyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95103940
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

Frequently Asked Questions

What is the IUPAC name of 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one (CID 53177130) is 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is CCCC(=O)N1CCC2(C1)C(=O)N(C)c1ccccc12.
What is the InChIKey of 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RCWDEFYEZZZTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-6-14(19)18-10-9-16(11-18)12-7-4-5-8-13(12)17(2)15(16)20/h4-5,7-8H,3,6,9-11H2,1-2H3.
What are the key properties of 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one?
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).