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

C16H22N2O — CID 83154697

IUPAC5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(C1CC1)C(N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H22N2O/c1-9(10-4-5-10)14(17)11-6-7-13-12(8-11)16(2,3)15(19)18-13/h6-10,14H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyIHRHVGICCOARTM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds3

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

5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 83154697) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID83154697
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(C1CC1)C(N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C16H22N2O/c1-9(10-4-5-10)14(17)11-6-7-13-12(8-11)16(2,3)15(19)18-13/h6-10,14H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyIHRHVGICCOARTM-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-bromo-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83148974
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319
5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500340
5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500009
5-(1-bromo-2-cyclohexylethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500189
5-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500093
5-(1-hydroxy-3-methylbutyl)-3,3-dimethyl-1H-indol-2-one
CID 79015226
2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
CID 82489087
5-(1-hydroxy-4-methylpentyl)-3,3-dimethyl-1H-indol-2-one
CID 80500129
5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500002
5-[bromo(oxan-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80501162

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one (CID 83154697) is 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one is CC(C1CC1)C(N)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is IHRHVGICCOARTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-9(10-4-5-10)14(17)11-6-7-13-12(8-11)16(2,3)15(19)18-13/h6-10,14H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one?
5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 83154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).