5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one

C13H17NO2 — CID 22131119

IUPAC5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCCc1ccc2c(c1C)CC(=O)N2
InChIInChI=1S/C13H17NO2/c1-9-10(4-3-7-16-2)5-6-12-11(9)8-13(15)14-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyHHGWOGVDBVPATM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.07
Rot. Bonds4

About 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one

5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one (PubChem CID 22131119) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one
PubChem CID22131119
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one
SMILESCOCCCc1ccc2c(c1C)CC(=O)N2
InChIInChI=1S/C13H17NO2/c1-9-10(4-3-7-16-2)5-6-12-11(9)8-13(15)14-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyHHGWOGVDBVPATM-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethyl)-4-methyl-1,3-dihydroindol-2-one
CID 22131104
5-iodo-4-methyl-1,3-dihydroindol-2-one
CID 23444684
4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71155097
4-(3-methoxypropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007038
2-(4-hydroxy-2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 23064251
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
N-(3-methoxypropyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768411
methyl 4-[2-(2-oxo-1,3-dihydroindol-4-yl)ethyl-propylamino]butanoate
CID 10757921
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
5-octoxy-1,3-dihydroindol-2-one
CID 143867556

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one (CID 22131119) is 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one is COCCCc1ccc2c(c1C)CC(=O)N2.
What is the InChIKey of 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one?
The InChIKey is HHGWOGVDBVPATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-10(4-3-7-16-2)5-6-12-11(9)8-13(15)14-12/h5-6H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one?
5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-4-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 22131119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).