3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

C18H24N2O — CID 176854871

IUPAC3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3C3CCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-21-16-7-8-18-17(11-16)13(12-19-18)10-15-6-3-9-20(15)14-4-2-5-14/h7-8,11-12,14-15,19H,2-6,9-10H2,1H3/t15-/m1/s1
InChIKeyUQZOOKQXKSDOQC-OAHLLOKOSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds4

About 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole

3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (PubChem CID 176854871) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
PubChem CID176854871
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(C[C@H]3CCCN3C3CCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-21-16-7-8-18-17(11-16)13(12-19-18)10-15-6-3-9-20(15)14-4-2-5-14/h7-8,11-12,14-15,19H,2-6,9-10H2,1H3/t15-/m1/s1
InChIKeyUQZOOKQXKSDOQC-OAHLLOKOSA-N
XLogP3.74
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
CID 177026586
CID 177026586
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
3-[dideuterio-[(2R)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 164912311
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine;2,2,2-trifluoroacetaldehyde
CID 177026595
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole (CID 176854871) is 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(C[C@H]3CCCN3C3CCC3)c2c1.
What is the InChIKey of 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
The InChIKey is UQZOOKQXKSDOQC-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O/c1-21-16-7-8-18-17(11-16)13(12-19-18)10-15-6-3-9-20(15)14-4-2-5-14/h7-8,11-12,14-15,19H,2-6,9-10H2,1H3/t15-/m1/s1.
What are the key properties of 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole?
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole has a molecular weight of 284.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole is sourced from PubChem (CID 176854871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).