5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one

C13H18N2O2 — CID 82290693

IUPAC5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
SMILESCCNCC(O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-3-14-8-12(16)9-4-5-11-10(6-9)7-13(17)15(11)2/h4-6,12,14,16H,3,7-8H2,1-2H3
InChIKeyBEYMJNWRMYNZNM-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.85
Rot. Bonds4

About 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one

5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one (PubChem CID 82290693) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
PubChem CID82290693
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
SMILESCCNCC(O)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C13H18N2O2/c1-3-14-8-12(16)9-4-5-11-10(6-9)7-13(17)15(11)2/h4-6,12,14,16H,3,7-8H2,1-2H3
InChIKeyBEYMJNWRMYNZNM-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
5-[(4-ethylphenyl)-hydroxymethyl]-1-methyl-3H-indol-2-one
CID 61086671
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
CID 116932459
2-[2-hydroxy-2-(1-methyl-2-oxo-3H-indol-5-yl)ethoxy]acetic acid
CID 61328011
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-[1-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]-1-methyl-3H-indol-2-one
CID 103210146
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
3-(1-methyl-2-oxo-3H-indol-5-yl)butanoic acid
CID 82116151

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one (CID 82290693) is 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one is CCNCC(O)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
The InChIKey is BEYMJNWRMYNZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-14-8-12(16)9-4-5-11-10(6-9)7-13(17)15(11)2/h4-6,12,14,16H,3,7-8H2,1-2H3.
What are the key properties of 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one?
5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)-1-hydroxyethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82290693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).