5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one

C13H18N2O2 — CID 115217029

IUPAC5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CCCO
InChIInChI=1S/C13H18N2O2/c14-5-4-10-2-3-12-11(8-10)9-13(17)15(12)6-1-7-16/h2-3,8,16H,1,4-7,9,14H2
InChIKeyOKKNLJZKRXDMAD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.46
Rot. Bonds5

About 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one

5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one (PubChem CID 115217029) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
PubChem CID115217029
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CCCO
InChIInChI=1S/C13H18N2O2/c14-5-4-10-2-3-12-11(8-10)9-13(17)15(12)6-1-7-16/h2-3,8,16H,1,4-7,9,14H2
InChIKeyOKKNLJZKRXDMAD-UHFFFAOYSA-N
XLogP0.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
CID 115226042
5-(2-aminoethyl)-1-(4-aminopentyl)-3H-indol-2-one
CID 115204017
5-(2-aminoethyl)-1-ethyl-3H-indol-2-one
CID 82190443
5-(2-aminoethyl)-1-(2,2,2-trifluoroethyl)-3H-indol-2-one
CID 115258033
5-(2-aminoethyl)-1-(3-hydroxypropanoyl)-3H-indol-2-one
CID 115139297
5-(2-aminoethyl)-1-(3-aminopropanoyl)-3H-indol-2-one
CID 115152987
5-(2-aminoethyl)-2-oxo-3H-indole-1-carbothioic S-acid
CID 115170266
6-(2-aminoethyl)-4-(4-hydroxybutyl)-1,4-benzoxazin-3-one
CID 115217799
methyl 4-[5-(aminomethyl)-2-oxo-3H-indol-1-yl]butanoate
CID 115233425
5-[2-(methylamino)ethyl]-1-(3-sulfanylpropyl)-3H-indol-2-one
CID 115225243
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
1-(4-aminobutyl)-5-propanoyl-3H-indol-2-one
CID 84758277

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one (CID 115217029) is 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one is NCCc1ccc2c(c1)CC(=O)N2CCCO.
What is the InChIKey of 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one?
The InChIKey is OKKNLJZKRXDMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-5-4-10-2-3-12-11(8-10)9-13(17)15(12)6-1-7-16/h2-3,8,16H,1,4-7,9,14H2.
What are the key properties of 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one?
5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(3-hydroxypropyl)-3H-indol-2-one is sourced from PubChem (CID 115217029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).