5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

C15H20N2O — CID 10105889

IUPAC5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
InChIInChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyMKEGUJPBCIXABO-LBPRGKRZSA-N
MW244.34 g/mol
LogP2.81
Rot. Bonds3

About 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 10105889) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
PubChem CID10105889
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
InChIInChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1
InChIKeyMKEGUJPBCIXABO-LBPRGKRZSA-N
XLogP2.81
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole (CID 10105889) is 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is COc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1.
What is the InChIKey of 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is MKEGUJPBCIXABO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17-7-3-4-12(17)8-11-10-16-15-6-5-13(18-2)9-14(11)15/h5-6,9-10,12,16H,3-4,7-8H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 244.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 10105889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).