5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one

C13H15NO2 — CID 61088335

IUPAC5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C3CC3)ccc21
InChIInChI=1S/C13H15NO2/c1-14-11-5-4-9(13(16)8-2-3-8)6-10(11)7-12(14)15/h4-6,8,13,16H,2-3,7H2,1H3
InChIKeyQQADWLAKQJSNRU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds2

About 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one

5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one (PubChem CID 61088335) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
PubChem CID61088335
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(O)C3CC3)ccc21
InChIInChI=1S/C13H15NO2/c1-14-11-5-4-9(13(16)8-2-3-8)6-10(11)7-12(14)15/h4-6,8,13,16H,2-3,7H2,1H3
InChIKeyQQADWLAKQJSNRU-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one (CID 61088335) is 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(O)C3CC3)ccc21.
What is the InChIKey of 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is QQADWLAKQJSNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-11-5-4-9(13(16)8-2-3-8)6-10(11)7-12(14)15/h4-6,8,13,16H,2-3,7H2,1H3.
What are the key properties of 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one?
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 61088335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).