(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one

C17H23NO2 — CID 166439822

IUPAC(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
SMILESCCCC(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H23NO2/c1-5-8-13(19)11-17(12(2)3)14-9-6-7-10-15(14)18(4)16(17)20/h6-7,9-10,12H,5,8,11H2,1-4H3/t17-/m1/s1
InChIKeyGJGRHMDLGASVSJ-QGZVFWFLSA-N
MW273.38 g/mol
LogP3.32
Rot. Bonds5

About (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one

(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one (PubChem CID 166439822) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
PubChem CID166439822
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
SMILESCCCC(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C17H23NO2/c1-5-8-13(19)11-17(12(2)3)14-9-6-7-10-15(14)18(4)16(17)20/h6-7,9-10,12H,5,8,11H2,1-4H3/t17-/m1/s1
InChIKeyGJGRHMDLGASVSJ-QGZVFWFLSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]-3-propan-2-ylindol-2-one
CID 166440502
(3S)-1-methyl-3-[(4-methylphenyl)methyl]-3-propan-2-ylindol-2-one
CID 138984006
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
CID 175687035
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
methyl (3R)-1-methyl-2-oxo-3-propan-2-ylindole-3-carboxylate
CID 171828755
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(2S,3R)-2-amino-3-[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]butanoic acid
CID 57327525
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
2-[(3R)-3-ethyl-1-methyl-2-oxoindol-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 102422036
(3R)-1-methyl-3-prop-2-enyl-3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]indol-2-one
CID 139193545

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one?
The IUPAC name of (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one (CID 166439822) is (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one.
What is the SMILES notation for (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one?
The canonical SMILES for (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one is CCCC(=O)C[C@]1(C(C)C)C(=O)N(C)c2ccccc21.
What is the InChIKey of (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one?
The InChIKey is GJGRHMDLGASVSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO2/c1-5-8-13(19)11-17(12(2)3)14-9-6-7-10-15(14)18(4)16(17)20/h6-7,9-10,12H,5,8,11H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one?
(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one is sourced from PubChem (CID 166439822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).