[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

C20H24N2O3 — CID 167910990

IUPAC[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2)N1CC=CCC1
InChIInChI=1S/C20H24N2O3/c23-17-12-18(20(25)21-9-2-1-3-10-21)22(13-17)19(24)16-8-7-14-5-4-6-15(14)11-16/h1-2,7-8,11,17-18,23H,3-6,9-10,12-13H2
InChIKeyQRCQAPOEHNBQFU-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.54
Rot. Bonds2

About [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 167910990) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID167910990
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2)N1CC=CCC1
InChIInChI=1S/C20H24N2O3/c23-17-12-18(20(25)21-9-2-1-3-10-21)22(13-17)19(24)16-8-7-14-5-4-6-15(14)11-16/h1-2,7-8,11,17-18,23H,3-6,9-10,12-13H2
InChIKeyQRCQAPOEHNBQFU-UHFFFAOYSA-N
XLogP1.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R*,4R*)-1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-4-(4-morpholinylmethyl)-3-pyrrolidinyl]methanol
CID 72914357
1-[4-[(3R,4R)-4-hydroxy-1-(2-methylbenzoyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 110108539
[4-(Dimethylamino)-1-(2,5-dimethylbenzoyl)pyrrolidin-3-YL]methanol
CID 124050034
N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 118929279
US10730870, Example 116
CID 122528989
N-[(2R)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 132058281
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24701581
2-Pyrrolidinecarboxamide, 1-benzoyl-4-hydroxy-, (2S,4R)-
CID 122163617
2-[{[(3R*,4R*)-1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-4-(hydroxymethyl)pyrrolidin-3-yl]methyl}(methyl)amino]ethanol
CID 70710010
((3R*,4R*)-1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-3-pyrrolidinyl)methanol
CID 72837204
(3R*,4R*)-1-(2,3-dihydro-1H-inden-5-ylcarbonyl)-3,4-dimethyl-3-pyrrolidinol
CID 72866086
(2S,4R)-4-hydroxy-N-methyl-1-[1-(3-methylbenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197377

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 167910990) is [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CC(O)CN1C(=O)c1ccc2c(c1)CCC2)N1CC=CCC1.
What is the InChIKey of [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is QRCQAPOEHNBQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-17-12-18(20(25)21-9-2-1-3-10-21)22(13-17)19(24)16-8-7-14-5-4-6-15(14)11-16/h1-2,7-8,11,17-18,23H,3-6,9-10,12-13H2.
What are the key properties of [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?
[1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-indene-5-carbonyl)-4-hydroxypyrrolidin-2-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 167910990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).