(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide

C19H23N3O4 — CID 39481151

IUPAC(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H23N3O4/c23-17-10-14(18(24)20-21-19(25)16-5-2-8-26-16)11-22(17)15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,16H,1-5,8,10-11H2,(H,20,24)(H,21,25)/t14-,16-/m0/s1
InChIKeyQKHAWKHRUWMXQM-HOCLYGCPSA-N
MW357.41 g/mol
LogP0.85
Rot. Bonds3

About (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide

(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide (PubChem CID 39481151) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
PubChem CID39481151
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H23N3O4/c23-17-10-14(18(24)20-21-19(25)16-5-2-8-26-16)11-22(17)15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,16H,1-5,8,10-11H2,(H,20,24)(H,21,25)/t14-,16-/m0/s1
InChIKeyQKHAWKHRUWMXQM-HOCLYGCPSA-N
XLogP0.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
CID 39481150
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55578932
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 55802767
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42952813
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide (CID 39481151) is (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide?
The InChIKey is QKHAWKHRUWMXQM-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17-10-14(18(24)20-21-19(25)16-5-2-8-26-16)11-22(17)15-7-6-12-3-1-4-13(12)9-15/h6-7,9,14,16H,1-5,8,10-11H2,(H,20,24)(H,21,25)/t14-,16-/m0/s1.
What are the key properties of (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide?
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide has a molecular weight of 357.41 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 39481151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).