7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one

C12H13NO2 — CID 117291612

IUPAC7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cccc(C3(O)CC3)c21
InChIInChI=1S/C12H13NO2/c1-13-10(14)7-8-3-2-4-9(11(8)13)12(15)5-6-12/h2-4,15H,5-7H2,1H3
InChIKeyIQWHFFNKNUWFDF-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.19
Rot. Bonds1

About 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one

7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one (PubChem CID 117291612) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one
PubChem CID117291612
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cccc(C3(O)CC3)c21
InChIInChI=1S/C12H13NO2/c1-13-10(14)7-8-3-2-4-9(11(8)13)12(15)5-6-12/h2-4,15H,5-7H2,1H3
InChIKeyIQWHFFNKNUWFDF-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopentane-1-carboxylic acid
CID 117401849
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
CID 117364769
7-(1-isocyanatocyclobutyl)-1-methyl-3H-indol-2-one
CID 117357677
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532
1-(1-methyl-2,3-dihydroindol-7-yl)cyclopropan-1-ol
CID 117281567
1-methyl-2-oxo-3H-indole-7-carbonitrile
CID 82653401
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-7-yl)propanoic acid
CID 117370249
4-amino-4-(1-methyl-2-oxo-3H-indol-7-yl)butanoic acid
CID 117373605
(10S)-10-hydroxy-10-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
CID 7438108
1-methyl-7-(pyrrolidin-3-ylmethyl)-3H-indol-2-one
CID 84793759
7-[1-(aminomethyl)cyclobutyl]-1,5-dimethyl-3H-indol-2-one
CID 117363020

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one (CID 117291612) is 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cccc(C3(O)CC3)c21.
What is the InChIKey of 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one?
The InChIKey is IQWHFFNKNUWFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-13-10(14)7-8-3-2-4-9(11(8)13)12(15)5-6-12/h2-4,15H,5-7H2,1H3.
What are the key properties of 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one?
7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one has a molecular weight of 203.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117291612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).