5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one

C13H18N2O3 — CID 63686702

IUPAC5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
SMILESCCCOCCOc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H18N2O3/c1-2-3-17-4-5-18-12-8-11-9(6-10(12)14)7-13(16)15-11/h6,8H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyOODVIIMZTVAYPW-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds6

About 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one

5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one (PubChem CID 63686702) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
PubChem CID63686702
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one
SMILESCCCOCCOc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H18N2O3/c1-2-3-17-4-5-18-12-8-11-9(6-10(12)14)7-13(16)15-11/h6,8H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyOODVIIMZTVAYPW-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one (CID 63686702) is 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one is CCCOCCOc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
The InChIKey is OODVIIMZTVAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-17-4-5-18-12-8-11-9(6-10(12)14)7-13(16)15-11/h6,8H,2-5,7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one?
5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one has a molecular weight of 250.30 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-propoxyethoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63686702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).