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

C13H18N2O2 — CID 116997019

IUPAC5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CC(O)CN)cc21
InChIInChI=1S/C13H18N2O2/c1-13(2)10-6-8(5-9(16)7-14)3-4-11(10)15-12(13)17/h3-4,6,9,16H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyRLERQAVIZJDAKL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.78
Rot. Bonds3

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

5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 116997019) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID116997019
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(CC(O)CN)cc21
InChIInChI=1S/C13H18N2O2/c1-13(2)10-6-8(5-9(16)7-14)3-4-11(10)15-12(13)17/h3-4,6,9,16H,5,7,14H2,1-2H3,(H,15,17)
InChIKeyRLERQAVIZJDAKL-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
3,3-dimethyl-5-[2-(propan-2-ylamino)propyl]-1H-indol-2-one
CID 82484806
5-(bromomethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500983
5-[(1-aminocyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 117332888
5-(1-amino-2-hydroxypropan-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82475951
5-(5-amino-5-methylhexyl)-3,3-dimethyl-1H-indol-2-one
CID 96669855
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]-3,3-dimethylbutanamide
CID 110784021
N-[(3,3-dimethyl-2-oxo-1H-indol-5-yl)methyl]propane-1-sulfonamide
CID 110784036
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
3,3-dimethyl-5-[4-(methylamino)butyl]-1H-indol-2-one
CID 96662884
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1-phenylethyl)acetamide
CID 110770933

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one (CID 116997019) is 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(CC(O)CN)cc21.
What is the InChIKey of 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is RLERQAVIZJDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)10-6-8(5-9(16)7-14)3-4-11(10)15-12(13)17/h3-4,6,9,16H,5,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-2-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 116997019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).