6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole

C16H24N2O — CID 115074710

IUPAC6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC(C)N1CCCC1COc1ccc2c(c1)NCC2
InChIInChI=1S/C16H24N2O/c1-12(2)18-9-3-4-14(18)11-19-15-6-5-13-7-8-17-16(13)10-15/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyQTGFMASXBVIIAO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.91
Rot. Bonds4

About 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole

6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074710) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074710
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCC(C)N1CCCC1COc1ccc2c(c1)NCC2
InChIInChI=1S/C16H24N2O/c1-12(2)18-9-3-4-14(18)11-19-15-6-5-13-7-8-17-16(13)10-15/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3
InChIKeyQTGFMASXBVIIAO-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole (CID 115074710) is 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole is CC(C)N1CCCC1COc1ccc2c(c1)NCC2.
What is the InChIKey of 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is QTGFMASXBVIIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)18-9-3-4-14(18)11-19-15-6-5-13-7-8-17-16(13)10-15/h5-6,10,12,14,17H,3-4,7-9,11H2,1-2H3.
What are the key properties of 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole?
6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 260.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-propan-2-ylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).