5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one

C15H19NO2 — CID 80500340

IUPAC5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(O)C3CCC3)cc21
InChIInChI=1S/C15H19NO2/c1-15(2)11-8-10(13(17)9-4-3-5-9)6-7-12(11)16-14(15)18/h6-9,13,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyJTUNNGFTCLRUFN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.75
Rot. Bonds2

About 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one

5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 80500340) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID80500340
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(O)C3CCC3)cc21
InChIInChI=1S/C15H19NO2/c1-15(2)11-8-10(13(17)9-4-3-5-9)6-7-12(11)16-14(15)18/h6-9,13,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyJTUNNGFTCLRUFN-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclobutyl(propylamino)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500002
5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83154697
5-(1-bromo-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83148974
2-(cyclopropylamino)-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetic acid
CID 82489087
5-(1-bromo-2-cyclohexylethyl)-3,3-dimethyl-1H-indol-2-one
CID 80500189
5-[bromo(oxan-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80501162
5-(1-hydroxy-3-methylbutyl)-3,3-dimethyl-1H-indol-2-one
CID 79015226
5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500009
5-(1-hydroxy-4-methylpentyl)-3,3-dimethyl-1H-indol-2-one
CID 80500129
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
5-[3-bicyclo[3.1.0]hexanyl(bromo)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500093
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
CID 82496319

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one (CID 80500340) is 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(C(O)C3CCC3)cc21.
What is the InChIKey of 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is JTUNNGFTCLRUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)11-8-10(13(17)9-4-3-5-9)6-7-12(11)16-14(15)18/h6-9,13,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one?
5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 80500340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).