6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

C13H18N2O2 — CID 43586692

IUPAC6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCN(CC)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C13H18N2O2/c1-3-7-15(4-2)9-5-6-10-11(8-9)14-13(17)12(10)16/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyWGFVTLRBPZHIBM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.91
Rot. Bonds4

About 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one

6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 43586692) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID43586692
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
SMILESCCCN(CC)c1ccc2c(c1)NC(=O)C2O
InChIInChI=1S/C13H18N2O2/c1-3-7-15(4-2)9-5-6-10-11(8-9)14-13(17)12(10)16/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyWGFVTLRBPZHIBM-UHFFFAOYSA-N
XLogP1.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[cyclopropyl(ethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586683
6-[bis(prop-2-enyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 43586583
6-(N-ethyl-3-methylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 61075160
3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
CID 61424784
3-hydroxy-6-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1,3-dihydroindol-2-one
CID 107481112
3-hydroxy-6-[methyl(2-methylsulfanylethyl)amino]-1,3-dihydroindol-2-one
CID 112661697
3-hydroxy-6-[3-methoxypropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 63007655
6-[2-(dimethylamino)ethyl-propylamino]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
CID 80746464
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 55010245
5-bromo-6-[2-(dimethylamino)ethyl-propylamino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79343937
3-hydroxy-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1,3-dihydroindol-2-one
CID 43586724

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one (CID 43586692) is 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is CCCN(CC)c1ccc2c(c1)NC(=O)C2O.
What is the InChIKey of 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is WGFVTLRBPZHIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-7-15(4-2)9-5-6-10-11(8-9)14-13(17)12(10)16/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one?
6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(propyl)amino]-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).