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

C16H19NO2 — CID 82278466

IUPAC1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]c2ccc(C(C)C)cc2c1C1(C(=O)O)CC1
InChIInChI=1S/C16H19NO2/c1-9(2)11-4-5-13-12(8-11)14(10(3)17-13)16(6-7-16)15(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyDKXCDZNARDWXPX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.72
Rot. Bonds3

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

1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 82278466) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
PubChem CID82278466
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1[nH]c2ccc(C(C)C)cc2c1C1(C(=O)O)CC1
InChIInChI=1S/C16H19NO2/c1-9(2)11-4-5-13-12(8-11)14(10(3)17-13)16(6-7-16)15(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19)
InChIKeyDKXCDZNARDWXPX-UHFFFAOYSA-N
XLogP3.72
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid (CID 82278466) is 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is Cc1[nH]c2ccc(C(C)C)cc2c1C1(C(=O)O)CC1.
What is the InChIKey of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is DKXCDZNARDWXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-9(2)11-4-5-13-12(8-11)14(10(3)17-13)16(6-7-16)15(18)19/h4-5,8-9,17H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid?
1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82278466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).