7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one

C13H15NO2 — CID 117309426

IUPAC7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(CC3(O)CC3)c1)NC(=O)C2
InChIInChI=1S/C13H15NO2/c1-8-4-9-6-11(15)14-12(9)10(5-8)7-13(16)2-3-13/h4-5,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyOKVHDZZQOWBHHS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.56
Rot. Bonds2

About 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one

7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one (PubChem CID 117309426) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
PubChem CID117309426
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
SMILESCc1cc2c(c(CC3(O)CC3)c1)NC(=O)C2
InChIInChI=1S/C13H15NO2/c1-8-4-9-6-11(15)14-12(9)10(5-8)7-13(16)2-3-13/h4-5,16H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyOKVHDZZQOWBHHS-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-5-methyl-1,3-dihydroindol-2-one
CID 142337583
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
CID 117364760
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
5-tert-butyl-7-ethyl-1,3-dihydroindol-2-one
CID 134457828
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
5-[amino-(4-methylphenyl)methyl]-7-ethyl-1,3-dihydroindol-2-one
CID 82172898
7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 82172433
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
7-(aminomethyl)-5-bromo-1,3-dihydroindol-2-one
CID 82190668

Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one (CID 117309426) is 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one is Cc1cc2c(c(CC3(O)CC3)c1)NC(=O)C2.
What is the InChIKey of 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
The InChIKey is OKVHDZZQOWBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-4-9-6-11(15)14-12(9)10(5-8)7-13(16)2-3-13/h4-5,16H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one?
7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 117309426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).