1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

C17H22N2O3 — CID 110023787

IUPAC1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H22N2O3/c1-11(20)14-7-8-18(10-14)17(22)16-9-13-5-3-4-6-15(13)19(16)12(2)21/h3-6,11,14,16,20H,7-10H2,1-2H3/t11?,14?,16-/m0/s1
InChIKeyWPPVGHXILYFHBR-INORYPFCSA-N
MW302.37 g/mol
LogP1.19
Rot. Bonds2

About 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone

1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110023787) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID110023787
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(C(C)O)C1
InChIInChI=1S/C17H22N2O3/c1-11(20)14-7-8-18(10-14)17(22)16-9-13-5-3-4-6-15(13)19(16)12(2)21/h3-6,11,14,16,20H,7-10H2,1-2H3/t11?,14?,16-/m0/s1
InChIKeyWPPVGHXILYFHBR-INORYPFCSA-N
XLogP1.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
1-[(2S)-2-(9-azabicyclo[3.3.1]nonane-9-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 136580467
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869
1-[(2S)-2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 136580393
1-[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 110023505
ethyl 1-[(2S)-1-propanoyl-2,3-dihydroindole-2-carbonyl]piperidine-4-carboxylate
CID 92715776
2-cyclopropyl-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110023282

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone (CID 110023787) is 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCC(C(C)O)C1.
What is the InChIKey of 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WPPVGHXILYFHBR-INORYPFCSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(20)14-7-8-18(10-14)17(22)16-9-13-5-3-4-6-15(13)19(16)12(2)21/h3-6,11,14,16,20H,7-10H2,1-2H3/t11?,14?,16-/m0/s1.
What are the key properties of 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone?
1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110023787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).