2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid

C14H15NO3 — CID 117364760

IUPAC2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
SMILESCc1cc2c(c(C3(CC(=O)O)CC3)c1)NC(=O)C2
InChIInChI=1S/C14H15NO3/c1-8-4-9-6-11(16)15-13(9)10(5-8)14(2-3-14)7-12(17)18/h4-5H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNBROIJCRJTYSND-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.00
Rot. Bonds3

About 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid

2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid (PubChem CID 117364760) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
PubChem CID117364760
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid
SMILESCc1cc2c(c(C3(CC(=O)O)CC3)c1)NC(=O)C2
InChIInChI=1S/C14H15NO3/c1-8-4-9-6-11(16)15-13(9)10(5-8)14(2-3-14)7-12(17)18/h4-5H,2-3,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyNBROIJCRJTYSND-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.00
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-[(1-hydroxycyclopropyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 117309426
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
7-(2-aminoethyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190531
7-(2-aminopropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82190534
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(5-ethyl-2,4-dihydroxyphenyl)cyclopropyl]acetic acid
CID 84798070
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127
2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid (CID 117364760) is 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid is Cc1cc2c(c(C3(CC(=O)O)CC3)c1)NC(=O)C2.
What is the InChIKey of 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid?
The InChIKey is NBROIJCRJTYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-8-4-9-6-11(16)15-13(9)10(5-8)14(2-3-14)7-12(17)18/h4-5H,2-3,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid?
2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-2-oxo-1,3-dihydroindol-7-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117364760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).