2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid

C14H15NO3 — CID 117364769

IUPAC2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
SMILESCN1C(=O)Cc2cccc(C3(CC(=O)O)CC3)c21
InChIInChI=1S/C14H15NO3/c1-15-11(16)7-9-3-2-4-10(13(9)15)14(5-6-14)8-12(17)18/h2-4H,5-8H2,1H3,(H,17,18)
InChIKeyFQQBXKYESAMBLJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.71
Rot. Bonds3

About 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid

2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid (PubChem CID 117364769) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
PubChem CID117364769
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
SMILESCN1C(=O)Cc2cccc(C3(CC(=O)O)CC3)c21
InChIInChI=1S/C14H15NO3/c1-15-11(16)7-9-3-2-4-10(13(9)15)14(5-6-14)8-12(17)18/h2-4H,5-8H2,1H3,(H,17,18)
InChIKeyFQQBXKYESAMBLJ-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.71
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
7-(1-hydroxycyclopropyl)-1-methyl-3H-indol-2-one
CID 117291612
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
1-(1-methyl-2-oxo-3,4-dihydroquinolin-8-yl)cyclobutane-1-carboxylic acid
CID 117401867
7-(1-isocyanatocyclobutyl)-1-methyl-3H-indol-2-one
CID 117357677
4-amino-4-(1-methyl-2-oxo-3H-indol-7-yl)butanoic acid
CID 117373605
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-7-yl)propanoic acid
CID 117370249
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
1-methyl-2-oxo-3H-indole-7-carbonitrile
CID 82653401
2-[1-(3,4-dihydro-2H-thiochromen-8-yl)cyclopropyl]acetic acid
CID 117374325
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid (CID 117364769) is 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid is CN1C(=O)Cc2cccc(C3(CC(=O)O)CC3)c21.
What is the InChIKey of 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid?
The InChIKey is FQQBXKYESAMBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15-11(16)7-9-3-2-4-10(13(9)15)14(5-6-14)8-12(17)18/h2-4H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid?
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117364769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).