[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol

C17H24N2O2 — CID 92589969

IUPAC[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CC[C@H](CO)C2)c2cc(OC)ccc21
InChIInChI=1S/C17H24N2O2/c1-3-19-11-14(10-18-7-6-13(9-18)12-20)16-8-15(21-2)4-5-17(16)19/h4-5,8,11,13,20H,3,6-7,9-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNFPSIHVMCBYDBF-ZDUSSCGKSA-N
MW288.39 g/mol
LogP2.48
Rot. Bonds5

About [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol

[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 92589969) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID92589969
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol
SMILESCCn1cc(CN2CC[C@H](CO)C2)c2cc(OC)ccc21
InChIInChI=1S/C17H24N2O2/c1-3-19-11-14(10-18-7-6-13(9-18)12-20)16-8-15(21-2)4-5-17(16)19/h4-5,8,11,13,20H,3,6-7,9-10,12H2,1-2H3/t13-/m0/s1
InChIKeyNFPSIHVMCBYDBF-ZDUSSCGKSA-N
XLogP2.48
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,4S)-4-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91910139
azepan-1-yl-[1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-4-yl]methanone
CID 53117764
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53117767
3-[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92625171
N-[(2-ethoxyphenyl)methyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 53117776
1-[(1-ethyl-5-methoxyindol-3-yl)methyl]-N-[(2R)-2-phenylpropyl]piperidine-4-carboxamide
CID 95088469
(1R,5S)-3-[(1-ethyl-5-methoxyindol-3-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 92589967
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]piperidine-4-carboxamide
CID 20974080
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol (CID 92589969) is [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol is CCn1cc(CN2CC[C@H](CO)C2)c2cc(OC)ccc21.
What is the InChIKey of [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is NFPSIHVMCBYDBF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-19-11-14(10-18-7-6-13(9-18)12-20)16-8-15(21-2)4-5-17(16)19/h4-5,8,11,13,20H,3,6-7,9-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 288.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1-ethyl-5-methoxyindol-3-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 92589969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).