1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid

C13H13NO3 — CID 82289083

IUPAC1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
SMILESCN1C(=O)Cc2cc(C3(C(=O)O)CC3)ccc21
InChIInChI=1S/C13H13NO3/c1-14-10-3-2-9(6-8(10)7-11(14)15)13(4-5-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17)
InChIKeyNLZYEGXJESIETI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.32
Rot. Bonds2

About 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid

1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 82289083) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID82289083
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid
SMILESCN1C(=O)Cc2cc(C3(C(=O)O)CC3)ccc21
InChIInChI=1S/C13H13NO3/c1-14-10-3-2-9(6-8(10)7-11(14)15)13(4-5-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17)
InChIKeyNLZYEGXJESIETI-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
1-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)cyclobutane-1-carboxylic acid
CID 117401868
5-(3-bromooxetan-3-yl)-1-methyl-3H-indol-2-one
CID 116876380
1-amino-3-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]urea
CID 115192631
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl bromide
CID 115193255
N-(1-methyl-2-oxo-3H-indol-5-yl)carbamoyl chloride
CID 115194357
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
N-benzyl-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 110768263
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
1-methyl-5-(2-phenylacetyl)-3H-indol-2-one
CID 43339443
5-[3-(chloromethyl)oxetan-3-yl]-1-methyl-3H-indol-2-one
CID 116871399
1-benzyl-3-[2-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]urea
CID 110775797

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid (CID 82289083) is 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid is CN1C(=O)Cc2cc(C3(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is NLZYEGXJESIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-14-10-3-2-9(6-8(10)7-11(14)15)13(4-5-13)12(16)17/h2-3,6H,4-5,7H2,1H3,(H,16,17).
What are the key properties of 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid?
1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3H-indol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82289083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).