1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide

C20H21N3O4 — CID 17232652

IUPAC1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C20H21N3O4/c1-14-4-6-15(7-5-14)8-9-18(24)21-22-20(26)16-11-19(25)23(12-16)13-17-3-2-10-27-17/h2-10,16H,11-13H2,1H3,(H,21,24)(H,22,26)/b9-8+
InChIKeyVEDRAVASHCERNU-CMDGGOBGSA-N
MW367.41 g/mol
LogP1.80
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide

1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 17232652) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID17232652
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C20H21N3O4/c1-14-4-6-15(7-5-14)8-9-18(24)21-22-20(26)16-11-19(25)23(12-16)13-17-3-2-10-27-17/h2-10,16H,11-13H2,1H3,(H,21,24)(H,22,26)/b9-8+
InChIKeyVEDRAVASHCERNU-CMDGGOBGSA-N
XLogP1.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-5-oxo-N'-[(E)-3-phenylprop-2-enoyl]pyrrolidine-3-carbohydrazide
CID 17232588
ethyl (E)-3-[4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 17405378
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]acetamide
CID 17232816
1-(furan-2-ylmethyl)-N'-heptanoyl-5-oxopyrrolidine-3-carbohydrazide
CID 54789420
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(E)-N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17232886
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011936
N-[[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamothioyl]propanamide
CID 17232783
1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 135962711
1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide (CID 17232652) is 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is VEDRAVASHCERNU-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-4-6-15(7-5-14)8-9-18(24)21-22-20(26)16-11-19(25)23(12-16)13-17-3-2-10-27-17/h2-10,16H,11-13H2,1H3,(H,21,24)(H,22,26)/b9-8+.
What are the key properties of 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide?
1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 367.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 17232652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).