5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole

C15H22N2O — CID 115074531

IUPAC5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCN1CCCC1(C)COc1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O/c1-15(7-3-9-17(15)2)11-18-13-4-5-14-12(10-13)6-8-16-14/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyVDAHMPOYOWFXPU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds3

About 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole

5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074531) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074531
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCN1CCCC1(C)COc1ccc2c(c1)CCN2
InChIInChI=1S/C15H22N2O/c1-15(7-3-9-17(15)2)11-18-13-4-5-14-12(10-13)6-8-16-14/h4-5,10,16H,3,6-9,11H2,1-2H3
InChIKeyVDAHMPOYOWFXPU-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole (CID 115074531) is 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole is CN1CCCC1(C)COc1ccc2c(c1)CCN2.
What is the InChIKey of 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is VDAHMPOYOWFXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(7-3-9-17(15)2)11-18-13-4-5-14-12(10-13)6-8-16-14/h4-5,10,16H,3,6-9,11H2,1-2H3.
What are the key properties of 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 246.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).