2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide

C12H16N4O4 — CID 63578611

IUPAC2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCCC1NC(=O)N(Cc2occc2C(=O)NN)C1=O
InChIInChI=1S/C12H16N4O4/c1-2-3-8-11(18)16(12(19)14-8)6-9-7(4-5-20-9)10(17)15-13/h4-5,8H,2-3,6,13H2,1H3,(H,14,19)(H,15,17)
InChIKeyLRHKRZFYTPDZMJ-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.10
Rot. Bonds5

About 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide

2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 63578611) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide
PubChem CID63578611
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide
SMILESCCCC1NC(=O)N(Cc2occc2C(=O)NN)C1=O
InChIInChI=1S/C12H16N4O4/c1-2-3-8-11(18)16(12(19)14-8)6-9-7(4-5-20-9)10(17)15-13/h4-5,8H,2-3,6,13H2,1H3,(H,14,19)(H,15,17)
InChIKeyLRHKRZFYTPDZMJ-UHFFFAOYSA-N
XLogP0.10
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.10
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 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide (CID 63578611) is 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide is CCCC1NC(=O)N(Cc2occc2C(=O)NN)C1=O.
What is the InChIKey of 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is LRHKRZFYTPDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-2-3-8-11(18)16(12(19)14-8)6-9-7(4-5-20-9)10(17)15-13/h4-5,8H,2-3,6,13H2,1H3,(H,14,19)(H,15,17).
What are the key properties of 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide?
2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 280.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63578611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).