5-amino-1-ethyl-3H-indol-2-one;hydrochloride

C10H13ClN2O — CID 50988227

IUPAC5-amino-1-ethyl-3H-indol-2-one;hydrochloride
SMILESCCN1C(=O)Cc2cc(N)ccc21.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-2-12-9-4-3-8(11)5-7(9)6-10(12)13;/h3-5H,2,6,11H2,1H3;1H
InChIKeyYJBUBWXCFOPBOF-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.60
Rot. Bonds1

About 5-amino-1-ethyl-3H-indol-2-one;hydrochloride

5-amino-1-ethyl-3H-indol-2-one;hydrochloride (PubChem CID 50988227) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-amino-1-ethyl-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-1-ethyl-3H-indol-2-one;hydrochloride
PubChem CID50988227
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name5-amino-1-ethyl-3H-indol-2-one;hydrochloride
SMILESCCN1C(=O)Cc2cc(N)ccc21.Cl
InChIInChI=1S/C10H12N2O.ClH/c1-2-12-9-4-3-8(11)5-7(9)6-10(12)13;/h3-5H,2,6,11H2,1H3;1H
InChIKeyYJBUBWXCFOPBOF-UHFFFAOYSA-N
XLogP1.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526
Supercinnamaldehyde
CID 12480412
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
Super cinnamaldehyde
CID 12480411
6-Amino-1-ethylbenzo[cd]indol-2(1H)-one
CID 771515
N-{11-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-6-yl}acetamide
CID 7526291

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-3H-indol-2-one;hydrochloride?
The IUPAC name of 5-amino-1-ethyl-3H-indol-2-one;hydrochloride (CID 50988227) is 5-amino-1-ethyl-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 5-amino-1-ethyl-3H-indol-2-one;hydrochloride?
The canonical SMILES for 5-amino-1-ethyl-3H-indol-2-one;hydrochloride is CCN1C(=O)Cc2cc(N)ccc21.Cl.
What is the InChIKey of 5-amino-1-ethyl-3H-indol-2-one;hydrochloride?
The InChIKey is YJBUBWXCFOPBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.ClH/c1-2-12-9-4-3-8(11)5-7(9)6-10(12)13;/h3-5H,2,6,11H2,1H3;1H.
What are the key properties of 5-amino-1-ethyl-3H-indol-2-one;hydrochloride?
5-amino-1-ethyl-3H-indol-2-one;hydrochloride has a molecular weight of 212.68 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 50988227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).