5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one

C19H19ClN2O3 — CID 128895306

IUPAC5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n2cccc21
InChIInChI=1S/C19H19ClN2O3/c20-13-5-3-12(4-6-13)18-17(24)9-11-22(18)19(25)15-7-8-16(23)14-2-1-10-21(14)15/h1-6,10,15,17-18,24H,7-9,11H2/t15?,17-,18-/m1/s1
InChIKeyHLROVVCNEFKLIU-HSFDIDPMSA-N
MW358.82 g/mol
LogP2.99
Rot. Bonds2

About 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one

5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one (PubChem CID 128895306) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one.

Molecular Properties

Compound Name5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
PubChem CID128895306
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one
SMILESO=C1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n2cccc21
InChIInChI=1S/C19H19ClN2O3/c20-13-5-3-12(4-6-13)18-17(24)9-11-22(18)19(25)15-7-8-16(23)14-2-1-10-21(14)15/h1-6,10,15,17-18,24H,7-9,11H2/t15?,17-,18-/m1/s1
InChIKeyHLROVVCNEFKLIU-HSFDIDPMSA-N
XLogP2.99
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-(4-chlorophenyl)-N-(3,3-dimethylcyclobutyl)-3-hydroxypyrrolidine-1-carboxamide
CID 136583872
N-[3-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]prop-2-enamide
CID 166405811
1-[2-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 154848741
[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]-(3,5-dimethyl-1,2-thiazol-4-yl)methanone
CID 128895322
(5S,6R)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-5-hydroxypiperidin-2-one
CID 175658366
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
tert-butyl (2S,3S)-3-amino-2-(4-chlorophenyl)pyrrolidine-1-carboxylate
CID 124671019
5-[[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl]methyl]azepan-2-one
CID 128907443
[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217115
[(2R)-2-(4-chlorophenyl)azetidin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 97217116
(2S,4S,5R)-5-(4-chlorophenyl)-4-(4-hydroxypiperidine-1-carbonyl)-1,2-dimethylpyrrolidine-2-carboxylic acid
CID 56751331
(5R,6R)-6-(4-chlorophenyl)-1-ethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087389

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The IUPAC name of 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one (CID 128895306) is 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one.
What is the SMILES notation for 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The canonical SMILES for 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one is O=C1CCC(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n2cccc21.
What is the InChIKey of 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
The InChIKey is HLROVVCNEFKLIU-HSFDIDPMSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-13-5-3-12(4-6-13)18-17(24)9-11-22(18)19(25)15-7-8-16(23)14-2-1-10-21(14)15/h1-6,10,15,17-18,24H,7-9,11H2/t15?,17-,18-/m1/s1.
What are the key properties of 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one?
5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one has a molecular weight of 358.82 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2-(4-chlorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-6,7-dihydro-5H-indolizin-8-one is sourced from PubChem (CID 128895306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).