(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole

C17H26N2 — CID 169244389

IUPAC(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc2c(c1)[C@@H](C[C@H]1CCCN1C)CN2
InChIInChI=1S/C17H26N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10,12,14-15,18H,4-5,8-9,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyQQQGPQPRPGJCNG-LSDHHAIUSA-N
MW258.41 g/mol
LogP3.80
Rot. Bonds3

About (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole

(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole (PubChem CID 169244389) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
PubChem CID169244389
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
SMILESCC(C)c1ccc2c(c1)[C@@H](C[C@H]1CCCN1C)CN2
InChIInChI=1S/C17H26N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10,12,14-15,18H,4-5,8-9,11H2,1-3H3/t14-,15+/m0/s1
InChIKeyQQQGPQPRPGJCNG-LSDHHAIUSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole (CID 169244389) is (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole is CC(C)c1ccc2c(c1)[C@@H](C[C@H]1CCCN1C)CN2.
What is the InChIKey of (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole?
The InChIKey is QQQGPQPRPGJCNG-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)13-6-7-17-16(10-13)14(11-18-17)9-15-5-4-8-19(15)3/h6-7,10,12,14-15,18H,4-5,8-9,11H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole?
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole has a molecular weight of 258.41 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 169244389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).