1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole

C17H26N2 — CID 170972533

IUPAC1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole
SMILESCC(C)c1ccc2c(c1)N(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C17H26N2/c1-13(2)15-7-6-14-8-10-19(17(14)11-15)12-16-5-4-9-18(16)3/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t16-/m1/s1
InChIKeyUXDAMOCAOKTNFA-MRXNPFEDSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds3

About 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole

1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole (PubChem CID 170972533) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole
PubChem CID170972533
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole
SMILESCC(C)c1ccc2c(c1)N(C[C@H]1CCCN1C)CC2
InChIInChI=1S/C17H26N2/c1-13(2)15-7-6-14-8-10-19(17(14)11-15)12-16-5-4-9-18(16)3/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t16-/m1/s1
InChIKeyUXDAMOCAOKTNFA-MRXNPFEDSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole (CID 170972533) is 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole is CC(C)c1ccc2c(c1)N(C[C@H]1CCCN1C)CC2.
What is the InChIKey of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole?
The InChIKey is UXDAMOCAOKTNFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)15-7-6-14-8-10-19(17(14)11-15)12-16-5-4-9-18(16)3/h6-7,11,13,16H,4-5,8-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole?
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole has a molecular weight of 258.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-6-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 170972533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).