3-cyclopentyl-6-propan-2-yl-1H-indole

C16H21N — CID 143161751

IUPAC3-cyclopentyl-6-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2c(C3CCCC3)c[nH]c2c1
InChIInChI=1S/C16H21N/c1-11(2)13-7-8-14-15(10-17-16(14)9-13)12-5-3-4-6-12/h7-12,17H,3-6H2,1-2H3
InChIKeyJPLUIYCMWHSNFD-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.95
Rot. Bonds2

About 3-cyclopentyl-6-propan-2-yl-1H-indole

3-cyclopentyl-6-propan-2-yl-1H-indole (PubChem CID 143161751) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-cyclopentyl-6-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3-cyclopentyl-6-propan-2-yl-1H-indole
PubChem CID143161751
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name3-cyclopentyl-6-propan-2-yl-1H-indole
SMILESCC(C)c1ccc2c(C3CCCC3)c[nH]c2c1
InChIInChI=1S/C16H21N/c1-11(2)13-7-8-14-15(10-17-16(14)9-13)12-5-3-4-6-12/h7-12,17H,3-6H2,1-2H3
InChIKeyJPLUIYCMWHSNFD-UHFFFAOYSA-N
XLogP4.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-propan-2-yl-1H-indole?
The IUPAC name of 3-cyclopentyl-6-propan-2-yl-1H-indole (CID 143161751) is 3-cyclopentyl-6-propan-2-yl-1H-indole.
What is the SMILES notation for 3-cyclopentyl-6-propan-2-yl-1H-indole?
The canonical SMILES for 3-cyclopentyl-6-propan-2-yl-1H-indole is CC(C)c1ccc2c(C3CCCC3)c[nH]c2c1.
What is the InChIKey of 3-cyclopentyl-6-propan-2-yl-1H-indole?
The InChIKey is JPLUIYCMWHSNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11(2)13-7-8-14-15(10-17-16(14)9-13)12-5-3-4-6-12/h7-12,17H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-6-propan-2-yl-1H-indole?
3-cyclopentyl-6-propan-2-yl-1H-indole has a molecular weight of 227.35 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-propan-2-yl-1H-indole is sourced from PubChem (CID 143161751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).