4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole

C17H25NO — CID 115074393

IUPAC4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(COc2cccc3c2CCN3)C1
InChIInChI=1S/C17H25NO/c1-16(2)8-9-17(3,11-16)12-19-15-6-4-5-14-13(15)7-10-18-14/h4-6,18H,7-12H2,1-3H3
InChIKeyBBWDYHGZZHASOY-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.25
Rot. Bonds3

About 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole

4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074393) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074393
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
SMILESCC1(C)CCC(C)(COc2cccc3c2CCN3)C1
InChIInChI=1S/C17H25NO/c1-16(2)8-9-17(3,11-16)12-19-15-6-4-5-14-13(15)7-10-18-14/h4-6,18H,7-12H2,1-3H3
InChIKeyBBWDYHGZZHASOY-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole (CID 115074393) is 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole is CC1(C)CCC(C)(COc2cccc3c2CCN3)C1.
What is the InChIKey of 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is BBWDYHGZZHASOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)8-9-17(3,11-16)12-19-15-6-4-5-14-13(15)7-10-18-14/h4-6,18H,7-12H2,1-3H3.
What are the key properties of 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole?
4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 259.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).