7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one

C13H17ClN2O — CID 82173346

IUPAC7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(N)c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C13H17ClN2O/c1-13(2,3)12(15)9-6-8(14)4-7-5-10(17)16-11(7)9/h4,6,12H,5,15H2,1-3H3,(H,16,17)
InChIKeyGKYOXHBWJRBHOR-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.88
Rot. Bonds1

About 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one

7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one (PubChem CID 82173346) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
PubChem CID82173346
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one
SMILESCC(C)(C)C(N)c1cc(Cl)cc2c1NC(=O)C2
InChIInChI=1S/C13H17ClN2O/c1-13(2,3)12(15)9-6-8(14)4-7-5-10(17)16-11(7)9/h4,6,12H,5,15H2,1-3H3,(H,16,17)
InChIKeyGKYOXHBWJRBHOR-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426
3-[(1R)-1-amino-2,2-dimethylpropyl]-5-chloro-1H-pyridin-2-one
CID 130649424
7-[(E)-3-aminoprop-1-enyl]-5-chloro-1,3-dihydroindol-2-one
CID 117318863
7-(4-aminobutyl)-5-chloro-1,3-dihydroindol-2-one
CID 82190651
5-tert-butyl-7-chloro-1,3-dihydroindol-2-one;5-tert-butyl-7-methyl-1,3-dihydroindol-2-one
CID 159953490
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889
(1R)-1-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-amine
CID 130777230
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chloroaniline
CID 130615780
5-chloro-7-(1-isocyanatocyclopropyl)-1,3-dihydroindol-2-one
CID 117374900
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one (CID 82173346) is 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one is CC(C)(C)C(N)c1cc(Cl)cc2c1NC(=O)C2.
What is the InChIKey of 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one?
The InChIKey is GKYOXHBWJRBHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-13(2,3)12(15)9-6-8(14)4-7-5-10(17)16-11(7)9/h4,6,12H,5,15H2,1-3H3,(H,16,17).
What are the key properties of 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one?
7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2,2-dimethylpropyl)-5-chloro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).