(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide

C17H24N4O2 — CID 111550750

IUPAC(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C17H24N4O2/c1-2-18-17(20-9-8-14(22)12-20)19-11-16(23)21-10-7-13-5-3-4-6-15(13)21/h3-6,14,22H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyIQBYQCCBJYVELR-CQSZACIVSA-N
MW316.40 g/mol
LogP0.61
Rot. Bonds3

About (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide

(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide (PubChem CID 111550750) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
PubChem CID111550750
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(=O)N1CCc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C17H24N4O2/c1-2-18-17(20-9-8-14(22)12-20)19-11-16(23)21-10-7-13-5-3-4-6-15(13)21/h3-6,14,22H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1
InChIKeyIQBYQCCBJYVELR-CQSZACIVSA-N
XLogP0.61
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111960341
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731841
ethyl 1-[N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110994482
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726127
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
CID 111747869
(3R)-N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111977854
N-cyclopropyl-2-[[2,3-dihydroindol-1-yl(ethylamino)methylidene]amino]acetamide
CID 110984904
1-tert-butyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-ethylguanidine;hydroiodide
CID 110966467
N'-(cyclopropylmethyl)-N-ethyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110985097
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-4-methylpiperidine-1-carboximidamide
CID 111209985
N-ethyl-N'-[3-(4-hydroxypiperidin-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide
CID 110983612
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019095

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide (CID 111550750) is (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide is CCN/C(=N\CC(=O)N1CCc2ccccc21)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is IQBYQCCBJYVELR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-18-17(20-9-8-14(22)12-20)19-11-16(23)21-10-7-13-5-3-4-6-15(13)21/h3-6,14,22H,2,7-12H2,1H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide?
(3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 316.40 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 111550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).