2-cycloheptyl-1-methylindole-3-carboxylic acid

C17H21NO2 — CID 69072788

IUPAC2-cycloheptyl-1-methylindole-3-carboxylic acid
SMILESCn1c(C2CCCCCC2)c(C(=O)O)c2ccccc21
InChIInChI=1S/C17H21NO2/c1-18-14-11-7-6-10-13(14)15(17(19)20)16(18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyPNZGZQDLNHWQRG-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.31
Rot. Bonds2

About 2-cycloheptyl-1-methylindole-3-carboxylic acid

2-cycloheptyl-1-methylindole-3-carboxylic acid (PubChem CID 69072788) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cycloheptyl-1-methylindole-3-carboxylic acid.

Molecular Properties

Compound Name2-cycloheptyl-1-methylindole-3-carboxylic acid
PubChem CID69072788
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-cycloheptyl-1-methylindole-3-carboxylic acid
SMILESCn1c(C2CCCCCC2)c(C(=O)O)c2ccccc21
InChIInChI=1S/C17H21NO2/c1-18-14-11-7-6-10-13(14)15(17(19)20)16(18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyPNZGZQDLNHWQRG-UHFFFAOYSA-N
XLogP4.31
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-methylindole-3-carboxylic acid?
The IUPAC name of 2-cycloheptyl-1-methylindole-3-carboxylic acid (CID 69072788) is 2-cycloheptyl-1-methylindole-3-carboxylic acid.
What is the SMILES notation for 2-cycloheptyl-1-methylindole-3-carboxylic acid?
The canonical SMILES for 2-cycloheptyl-1-methylindole-3-carboxylic acid is Cn1c(C2CCCCCC2)c(C(=O)O)c2ccccc21.
What is the InChIKey of 2-cycloheptyl-1-methylindole-3-carboxylic acid?
The InChIKey is PNZGZQDLNHWQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-18-14-11-7-6-10-13(14)15(17(19)20)16(18)12-8-4-2-3-5-9-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-cycloheptyl-1-methylindole-3-carboxylic acid?
2-cycloheptyl-1-methylindole-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-methylindole-3-carboxylic acid is sourced from PubChem (CID 69072788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).