7-amino-5-chloro-1-ethyl-3H-indol-2-one

C10H11ClN2O — CID 118540260

IUPAC7-amino-5-chloro-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(Cl)cc(N)c21
InChIInChI=1S/C10H11ClN2O/c1-2-13-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4,12H2,1H3
InChIKeyJHTIPRQXVUIZJW-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.83
Rot. Bonds1

About 7-amino-5-chloro-1-ethyl-3H-indol-2-one

7-amino-5-chloro-1-ethyl-3H-indol-2-one (PubChem CID 118540260) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 7-amino-5-chloro-1-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name7-amino-5-chloro-1-ethyl-3H-indol-2-one
PubChem CID118540260
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name7-amino-5-chloro-1-ethyl-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(Cl)cc(N)c21
InChIInChI=1S/C10H11ClN2O/c1-2-13-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4,12H2,1H3
InChIKeyJHTIPRQXVUIZJW-UHFFFAOYSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-chloro-1-ethyl-3H-indol-2-one?
The IUPAC name of 7-amino-5-chloro-1-ethyl-3H-indol-2-one (CID 118540260) is 7-amino-5-chloro-1-ethyl-3H-indol-2-one.
What is the SMILES notation for 7-amino-5-chloro-1-ethyl-3H-indol-2-one?
The canonical SMILES for 7-amino-5-chloro-1-ethyl-3H-indol-2-one is CCN1C(=O)Cc2cc(Cl)cc(N)c21.
What is the InChIKey of 7-amino-5-chloro-1-ethyl-3H-indol-2-one?
The InChIKey is JHTIPRQXVUIZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-2-13-9(14)4-6-3-7(11)5-8(12)10(6)13/h3,5H,2,4,12H2,1H3.
What are the key properties of 7-amino-5-chloro-1-ethyl-3H-indol-2-one?
7-amino-5-chloro-1-ethyl-3H-indol-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-chloro-1-ethyl-3H-indol-2-one is sourced from PubChem (CID 118540260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).