5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

C12H16N4O4 — CID 63572055

IUPAC5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2C(=O)NC(C)(C)C2=O)oc1C(=O)NN
InChIInChI=1S/C12H16N4O4/c1-6-4-7(20-8(6)9(17)15-13)5-16-10(18)12(2,3)14-11(16)19/h4H,5,13H2,1-3H3,(H,14,19)(H,15,17)
InChIKeyZMPSYIGTLBOYFQ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.02
Rot. Bonds3

About 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide

5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (PubChem CID 63572055) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
PubChem CID63572055
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
SMILESCc1cc(CN2C(=O)NC(C)(C)C2=O)oc1C(=O)NN
InChIInChI=1S/C12H16N4O4/c1-6-4-7(20-8(6)9(17)15-13)5-16-10(18)12(2,3)14-11(16)19/h4H,5,13H2,1-3H3,(H,14,19)(H,15,17)
InChIKeyZMPSYIGTLBOYFQ-UHFFFAOYSA-N
XLogP0.02
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The IUPAC name of 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide (CID 63572055) is 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide.
What is the SMILES notation for 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The canonical SMILES for 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is Cc1cc(CN2C(=O)NC(C)(C)C2=O)oc1C(=O)NN.
What is the InChIKey of 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
The InChIKey is ZMPSYIGTLBOYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-6-4-7(20-8(6)9(17)15-13)5-16-10(18)12(2,3)14-11(16)19/h4H,5,13H2,1-3H3,(H,14,19)(H,15,17).
What are the key properties of 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide?
5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide has a molecular weight of 280.28 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63572055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).