1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione

C19H25NO3 — CID 175687035

IUPAC1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
SMILESCCC(=O)CCCCC(=O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H25NO3/c1-4-14(21)9-5-6-10-15(22)13-19(2)16-11-7-8-12-17(16)20(3)18(19)23/h7-8,11-12H,4-6,9-10,13H2,1-3H3
InChIKeyJHNPHRGNIJCFSX-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.42
Rot. Bonds8

About 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione

1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione (PubChem CID 175687035) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
PubChem CID175687035
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione
SMILESCCC(=O)CCCCC(=O)CC1(C)C(=O)N(C)c2ccccc21
InChIInChI=1S/C19H25NO3/c1-4-14(21)9-5-6-10-15(22)13-19(2)16-11-7-8-12-17(16)20(3)18(19)23/h7-8,11-12H,4-6,9-10,13H2,1-3H3
InChIKeyJHNPHRGNIJCFSX-UHFFFAOYSA-N
XLogP3.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3S)-3-[2-(4-tert-butylphenyl)-2-oxoethyl]-1,3-dimethylindol-2-one
CID 102369022
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
(3R)-1-methyl-3-(2-oxopentyl)-3-propan-2-ylindol-2-one
CID 166439822
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
1-(1-cyclohexylpiperidin-4-yl)-3-methyl-3-(2-oxobutyl)indol-2-one
CID 158694819
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione?
The IUPAC name of 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione (CID 175687035) is 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione?
The canonical SMILES for 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione is CCC(=O)CCCCC(=O)CC1(C)C(=O)N(C)c2ccccc21.
What is the InChIKey of 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione?
The InChIKey is JHNPHRGNIJCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-14(21)9-5-6-10-15(22)13-19(2)16-11-7-8-12-17(16)20(3)18(19)23/h7-8,11-12H,4-6,9-10,13H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione?
1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione has a molecular weight of 315.41 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxoindol-3-yl)nonane-2,7-dione is sourced from PubChem (CID 175687035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).