7-amino-3,3-dimethyl-1H-indol-2-one

C10H12N2O — CID 131839717

IUPAC7-amino-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(N)cccc21
InChIInChI=1S/C10H12N2O/c1-10(2)6-4-3-5-7(11)8(6)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyKRKXEHWYUYXQDH-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.50
Rot. Bonds

About 7-amino-3,3-dimethyl-1H-indol-2-one

7-amino-3,3-dimethyl-1H-indol-2-one (PubChem CID 131839717) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 7-amino-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-amino-3,3-dimethyl-1H-indol-2-one
PubChem CID131839717
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name7-amino-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(N)cccc21
InChIInChI=1S/C10H12N2O/c1-10(2)6-4-3-5-7(11)8(6)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)
InChIKeyKRKXEHWYUYXQDH-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
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-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-amino-3,3-dimethyl-1H-indol-2-one (CID 131839717) is 7-amino-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-amino-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-amino-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(N)cccc21.
What is the InChIKey of 7-amino-3,3-dimethyl-1H-indol-2-one?
The InChIKey is KRKXEHWYUYXQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)6-4-3-5-7(11)8(6)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13).
What are the key properties of 7-amino-3,3-dimethyl-1H-indol-2-one?
7-amino-3,3-dimethyl-1H-indol-2-one has a molecular weight of 176.22 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 131839717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).