(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide

C18H21N3O3 — CID 51983166

IUPAC(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1
InChIInChI=1S/C18H21N3O3/c22-16-9-14(18(24)20-19-17(23)12-4-5-12)10-21(16)15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14H,1-5,9-10H2,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyDCUZJTVCXRZMGL-CQSZACIVSA-N
MW327.38 g/mol
LogP1.09
Rot. Bonds3

About (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 51983166) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID51983166
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1
InChIInChI=1S/C18H21N3O3/c22-16-9-14(18(24)20-19-17(23)12-4-5-12)10-21(16)15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14H,1-5,9-10H2,(H,19,23)(H,20,24)/t14-/m1/s1
InChIKeyDCUZJTVCXRZMGL-CQSZACIVSA-N
XLogP1.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxo-N'-[(2S)-oxolane-2-carbonyl]pyrrolidine-3-carbohydrazide
CID 39481151
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551
N-[1-[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480294
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
(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-(2,6-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
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-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 167780443
(3R)-N-(1-cyanocyclopentyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 95576802

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide (CID 51983166) is (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide is O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)C1CC1.
What is the InChIKey of (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is DCUZJTVCXRZMGL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-16-9-14(18(24)20-19-17(23)12-4-5-12)10-21(16)15-7-6-11-2-1-3-13(11)8-15/h6-8,12,14H,1-5,9-10H2,(H,19,23)(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 327.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 51983166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).