5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile

C15H18N2O — CID 154710024

IUPAC5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
SMILESCN1C(=O)C(C)(CCCCC#N)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-15(10-6-3-7-11-16)12-8-4-5-9-13(12)17(2)14(15)18/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyGWRFYPWZZQYGTL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.00
Rot. Bonds4

About 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile

5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile (PubChem CID 154710024) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile.

Molecular Properties

Compound Name5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
PubChem CID154710024
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile
SMILESCN1C(=O)C(C)(CCCCC#N)c2ccccc21
InChIInChI=1S/C15H18N2O/c1-15(10-6-3-7-11-16)12-8-4-5-9-13(12)17(2)14(15)18/h4-5,8-9H,3,6-7,10H2,1-2H3
InChIKeyGWRFYPWZZQYGTL-UHFFFAOYSA-N
XLogP3.00
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dimethyl-2-oxoindol-3-yl)-2-methylpropanenitrile
CID 162413977
3-ethyl-1,3-dimethylindol-2-one
CID 14449303
(3R)-3-[2-(dimethylamino)ethyl]-1,3-dimethylindol-2-one
CID 97356041
(3R)-3-(2,2-dichloroethyl)-1,3-dimethylindol-2-one
CID 102335587
(3S)-3-[(4R)-4,8-dimethylnon-7-enyl]-1,3-dimethylindol-2-one
CID 166446685
2-(1,3-dimethyl-2-oxoindol-3-yl)acetaldehyde
CID 11183300
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372
(3S)-1,3-dimethyl-3-(methylsulfonylmethyl)indol-2-one
CID 125478862
3-(2-hydroxybutyl)-1,3-dimethylindol-2-one
CID 102528889
2-[3-(3-bromopropyl)-1-methyl-2-oxoindol-3-yl]acetonitrile
CID 102324118
(3S)-1,3-dimethyl-3-(phenylselanylmethyl)indol-2-one
CID 164682274
1,3-dimethyl-3-(2-pyridin-3-ylethyl)indol-2-one
CID 102223452

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile?
The IUPAC name of 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile (CID 154710024) is 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile.
What is the SMILES notation for 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile?
The canonical SMILES for 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile is CN1C(=O)C(C)(CCCCC#N)c2ccccc21.
What is the InChIKey of 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile?
The InChIKey is GWRFYPWZZQYGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(10-6-3-7-11-16)12-8-4-5-9-13(12)17(2)14(15)18/h4-5,8-9H,3,6-7,10H2,1-2H3.
What are the key properties of 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile?
5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile has a molecular weight of 242.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-2-oxoindol-3-yl)pentanenitrile is sourced from PubChem (CID 154710024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).