2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid

C15H17NO3 — CID 115003473

IUPAC2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
SMILESCC1C(=O)N(C)c2ccc(C3(CC(=O)O)CC3)cc21
InChIInChI=1S/C15H17NO3/c1-9-11-7-10(15(5-6-15)8-13(17)18)3-4-12(11)16(2)14(9)19/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyFPOTVFRHGGHEIJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid

2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid (PubChem CID 115003473) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
PubChem CID115003473
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
SMILESCC1C(=O)N(C)c2ccc(C3(CC(=O)O)CC3)cc21
InChIInChI=1S/C15H17NO3/c1-9-11-7-10(15(5-6-15)8-13(17)18)3-4-12(11)16(2)14(9)19/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyFPOTVFRHGGHEIJ-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,3-dimethyl-2-oxo-3H-indole-5-carboxylic acid
CID 98586131
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
(1,3-dimethyl-2-oxo-3H-indol-5-yl) acetate
CID 10867765
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
CID 84785166
2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
CID 117374320
ethyl 2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)-2-oxoacetate
CID 117406951
2-(1,3-dimethyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 84775817
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
2-[1-(1,2-dimethylbenzimidazol-5-yl)cyclopropyl]acetic acid
CID 117362592
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid (CID 115003473) is 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid is CC1C(=O)N(C)c2ccc(C3(CC(=O)O)CC3)cc21.
What is the InChIKey of 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid?
The InChIKey is FPOTVFRHGGHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-11-7-10(15(5-6-15)8-13(17)18)3-4-12(11)16(2)14(9)19/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid?
2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 115003473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).