(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide

C14H19N3O3 — CID 95165446

IUPAC(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(N2C[C@@H](C(=O)NN)CC2=O)cc1
InChIInChI=1S/C14H19N3O3/c1-2-7-20-12-5-3-11(4-6-12)17-9-10(8-13(17)18)14(19)16-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyPZGHFGYIEZQSSN-JTQLQIEISA-N
MW277.32 g/mol
LogP0.82
Rot. Bonds5

About (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide

(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide (PubChem CID 95165446) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
PubChem CID95165446
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide
SMILESCCCOc1ccc(N2C[C@@H](C(=O)NN)CC2=O)cc1
InChIInChI=1S/C14H19N3O3/c1-2-7-20-12-5-3-11(4-6-12)17-9-10(8-13(17)18)14(19)16-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)/t10-/m0/s1
InChIKeyPZGHFGYIEZQSSN-JTQLQIEISA-N
XLogP0.82
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
methyl 5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylate
CID 10446211
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492
(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2174533
(3R)-N-(4-acetylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236687
(3R)-N-(2-methylphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7236685
N-(2,3-dichlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 4202412
(3R)-N-(3-chlorophenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2197777
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
(3S)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7235791
N-(4-butoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785661
propan-2-yl 4-[[(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 7477482

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide (CID 95165446) is (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide is CCCOc1ccc(N2C[C@@H](C(=O)NN)CC2=O)cc1.
What is the InChIKey of (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide?
The InChIKey is PZGHFGYIEZQSSN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-7-20-12-5-3-11(4-6-12)17-9-10(8-13(17)18)14(19)16-15/h3-6,10H,2,7-9,15H2,1H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide?
(3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide has a molecular weight of 277.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 95165446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).