1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone

C17H22N2O3 — CID 128984768

IUPAC1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)Cc2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H22N2O3/c1-11-4-3-5-15-12(8-18-17(11)15)6-16(21)19-9-14(22-2)7-13(19)10-20/h3-5,8,13-14,18,20H,6-7,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyQRJPNGQKDWINTQ-UONOGXRCSA-N
MW302.37 g/mol
LogP1.63
Rot. Bonds4

About 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone

1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone (PubChem CID 128984768) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
PubChem CID128984768
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
SMILESCO[C@@H]1C[C@@H](CO)N(C(=O)Cc2c[nH]c3c(C)cccc23)C1
InChIInChI=1S/C17H22N2O3/c1-11-4-3-5-15-12(8-18-17(11)15)6-16(21)19-9-14(22-2)7-13(19)10-20/h3-5,8,13-14,18,20H,6-7,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyQRJPNGQKDWINTQ-UONOGXRCSA-N
XLogP1.63
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 99698712
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 128985253
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 128989784
2-(2,4-difluorophenyl)-1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]ethanone
CID 128984802
[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128985416
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 128985487
(3R)-N-methyl-1-[2-(7-methyl-1H-indol-3-yl)acetyl]piperidine-3-sulfonamide
CID 97216029
1-(3-methyl-1,1-dioxo-1,4-thiazepan-4-yl)-2-(7-methyl-1H-indol-3-yl)ethanone
CID 154788876
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
3-[3-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 128984837
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)ethanone
CID 128985521
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-3-phenylmethoxypropan-1-one
CID 128984916

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone (CID 128984768) is 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone is CO[C@@H]1C[C@@H](CO)N(C(=O)Cc2c[nH]c3c(C)cccc23)C1.
What is the InChIKey of 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
The InChIKey is QRJPNGQKDWINTQ-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-4-3-5-15-12(8-18-17(11)15)6-16(21)19-9-14(22-2)7-13(19)10-20/h3-5,8,13-14,18,20H,6-7,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone?
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone has a molecular weight of 302.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 128984768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).