1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide

C15H19N3O3 — CID 54792564

IUPAC1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESC=C(C)COc1ccccc1N1CC(C(=O)NN)CC1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-12(13)18-8-11(7-14(18)19)15(20)17-16/h3-6,11H,1,7-9,16H2,2H3,(H,17,20)
InChIKeyMUFPUKIHUFEQMI-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.98
Rot. Bonds5

About 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide

1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 54792564) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID54792564
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESC=C(C)COc1ccccc1N1CC(C(=O)NN)CC1=O
InChIInChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-12(13)18-8-11(7-14(18)19)15(20)17-16/h3-6,11H,1,7-9,16H2,2H3,(H,17,20)
InChIKeyMUFPUKIHUFEQMI-UHFFFAOYSA-N
XLogP0.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.98
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-[2-(2-methylpropoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792456
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
ethyl 3-[[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazole-5-carboxylate
CID 97259978
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide (CID 54792564) is 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide is C=C(C)COc1ccccc1N1CC(C(=O)NN)CC1=O.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is MUFPUKIHUFEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)9-21-13-6-4-3-5-12(13)18-8-11(7-14(18)19)15(20)17-16/h3-6,11H,1,7-9,16H2,2H3,(H,17,20).
What are the key properties of 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide?
1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 289.34 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 54792564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).