1-(3-methoxypropyl)-3,3-dimethylindol-2-one

C14H19NO2 — CID 66707162

IUPAC1-(3-methoxypropyl)-3,3-dimethylindol-2-one
SMILESCOCCCN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2)11-7-4-5-8-12(11)15(13(14)16)9-6-10-17-3/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyUCUNZFRKZPOIPS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.35
Rot. Bonds4

About 1-(3-methoxypropyl)-3,3-dimethylindol-2-one

1-(3-methoxypropyl)-3,3-dimethylindol-2-one (PubChem CID 66707162) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3,3-dimethylindol-2-one
PubChem CID66707162
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(3-methoxypropyl)-3,3-dimethylindol-2-one
SMILESCOCCCN1C(=O)C(C)(C)c2ccccc21
InChIInChI=1S/C14H19NO2/c1-14(2)11-7-4-5-8-12(11)15(13(14)16)9-6-10-17-3/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeyUCUNZFRKZPOIPS-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.35
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

1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
1-(3-methoxypropyl)-4,4-dimethyl-3H-quinolin-2-one
CID 68791500
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
1-but-3-ynyl-3,3-dimethylindol-2-one
CID 80500280
1-[3-methoxy-2-(methylamino)propyl]-3,3-dimethylindol-2-one
CID 107506347
1-(4-methoxybutyl)-3,3-dimethyl-4H-1,4-benzodiazepine-2,5-dione
CID 104650470
(3R)-1-butyl-4'-[hydroxy-(4-methylphenyl)methylidene]-1'-(3-methoxypropyl)spiro[indole-3,5'-pyrrolidine]-2,2',3'-trione
CID 41122840
1-(5-bromo-3-methylpentyl)-3,3-dimethylindol-2-one
CID 80500132
4-(3-methoxypropyl)-2,6-dimethyl-2-phenyl-1,4-benzoxazin-3-one
CID 68845948
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638
1-(2,2-diethoxyethyl)-3,3-dimethylindol-2-one
CID 80500352
1-(3-chloropropyl)-3-fluoro-3-methylindol-2-one
CID 66652531

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3,3-dimethylindol-2-one?
The IUPAC name of 1-(3-methoxypropyl)-3,3-dimethylindol-2-one (CID 66707162) is 1-(3-methoxypropyl)-3,3-dimethylindol-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-3,3-dimethylindol-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-3,3-dimethylindol-2-one is COCCCN1C(=O)C(C)(C)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-3,3-dimethylindol-2-one?
The InChIKey is UCUNZFRKZPOIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)11-7-4-5-8-12(11)15(13(14)16)9-6-10-17-3/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of 1-(3-methoxypropyl)-3,3-dimethylindol-2-one?
1-(3-methoxypropyl)-3,3-dimethylindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3,3-dimethylindol-2-one is sourced from PubChem (CID 66707162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).