5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one

C10H11ClN2O2 — CID 14693187

IUPAC5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(Cl)cc(N)c(O)c21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)6-7(13-9(10)15)4(11)3-5(12)8(6)14/h3,14H,12H2,1-2H3,(H,13,15)
InChIKeyWGTLWPNICZWRCA-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.86
Rot. Bonds

About 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one

5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one (PubChem CID 14693187) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one
PubChem CID14693187
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(Cl)cc(N)c(O)c21
InChIInChI=1S/C10H11ClN2O2/c1-10(2)6-7(13-9(10)15)4(11)3-5(12)8(6)14/h3,14H,12H2,1-2H3,(H,13,15)
InChIKeyWGTLWPNICZWRCA-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one (CID 14693187) is 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(Cl)cc(N)c(O)c21.
What is the InChIKey of 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one?
The InChIKey is WGTLWPNICZWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-10(2)6-7(13-9(10)15)4(11)3-5(12)8(6)14/h3,14H,12H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one?
5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one has a molecular weight of 226.66 g/mol, XLogP of 1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-chloro-4-hydroxy-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 14693187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).