2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone

C15H18N2O2 — CID 124848062

IUPAC2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
SMILESCO[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C15H18N2O2/c1-19-13-7-9-17(10-13)15(18)11-16-8-6-12-4-2-3-5-14(12)16/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyMBTOGDBFYHKSPT-ZDUSSCGKSA-N
MW258.32 g/mol
LogP1.89
Rot. Bonds3

About 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone

2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone (PubChem CID 124848062) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
PubChem CID124848062
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
SMILESCO[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1
InChIInChI=1S/C15H18N2O2/c1-19-13-7-9-17(10-13)15(18)11-16-8-6-12-4-2-3-5-14(12)16/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1
InChIKeyMBTOGDBFYHKSPT-ZDUSSCGKSA-N
XLogP1.89
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100620079
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
CID 71805982
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
1-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 74249344
2-indol-1-yl-N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]acetamide
CID 97427649
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-indol-1-ylethanone
CID 122259233
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone (CID 124848062) is 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone is CO[C@H]1CCN(C(=O)Cn2ccc3ccccc32)C1.
What is the InChIKey of 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone?
The InChIKey is MBTOGDBFYHKSPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-13-7-9-17(10-13)15(18)11-16-8-6-12-4-2-3-5-14(12)16/h2-6,8,13H,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone?
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124848062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).