3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride

C12H17ClN2O — CID 75480418

IUPAC3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)C(N)C(=O)N2.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)11(15)14-9;/h4-6,10H,13H2,1-3H3,(H,14,15);1H
InChIKeyFXTFOCNLHQTLFT-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.36
Rot. Bonds

About 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride

3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 75480418) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
PubChem CID75480418
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride
SMILESCC(C)(C)c1ccc2c(c1)C(N)C(=O)N2.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)11(15)14-9;/h4-6,10H,13H2,1-3H3,(H,14,15);1H
InChIKeyFXTFOCNLHQTLFT-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride (CID 75480418) is 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride is CC(C)(C)c1ccc2c(c1)C(N)C(=O)N2.Cl.
What is the InChIKey of 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is FXTFOCNLHQTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-12(2,3)7-4-5-9-8(6-7)10(13)11(15)14-9;/h4-6,10H,13H2,1-3H3,(H,14,15);1H.
What are the key properties of 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride?
3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butyl-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 75480418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).