1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid

C14H15NO2 — CID 82278474

IUPAC1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]c2c(C)cccc2c1C1(C(=O)O)CC1
InChIInChI=1S/C14H15NO2/c1-8-4-3-5-10-11(9(2)15-12(8)10)14(6-7-14)13(16)17/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyLLSOYQBQGDNWKR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds2

About 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid

1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82278474) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82278474
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]c2c(C)cccc2c1C1(C(=O)O)CC1
InChIInChI=1S/C14H15NO2/c1-8-4-3-5-10-11(9(2)15-12(8)10)14(6-7-14)13(16)17/h3-5,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyLLSOYQBQGDNWKR-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (CID 82278474) is 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is Cc1[nH]c2c(C)cccc2c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is LLSOYQBQGDNWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8-4-3-5-10-11(9(2)15-12(8)10)14(6-7-14)13(16)17/h3-5,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82278474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).