5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one

C13H18N2O2 — CID 82475951

IUPAC5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(O)(CN)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O2/c1-12(2)9-6-8(13(3,17)7-14)4-5-10(9)15-11(12)16/h4-6,17H,7,14H2,1-3H3,(H,15,16)
InChIKeyPSZOSNRPTPMPIN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds2

About 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one

5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82475951) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82475951
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(O)(CN)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O2/c1-12(2)9-6-8(13(3,17)7-14)4-5-10(9)15-11(12)16/h4-6,17H,7,14H2,1-3H3,(H,15,16)
InChIKeyPSZOSNRPTPMPIN-UHFFFAOYSA-N
XLogP1.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 116997019
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
CID 110784021
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
CID 110618671
5-(1-chloro-2,2-dimethylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 80501056
5-(2-bromoacetyl)-3,3-dimethyl-1H-indol-2-one
CID 10684264
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one (CID 82475951) is 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one is CC(O)(CN)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is PSZOSNRPTPMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-12(2)9-6-8(13(3,17)7-14)4-5-10(9)15-11(12)16/h4-6,17H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one?
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82475951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).