5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide

C10H16N4O4 — CID 63578294

IUPAC5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCN1CC(=O)N(CC2CCC(C(=O)NN)O2)C1=O
InChIInChI=1S/C10H16N4O4/c1-13-5-8(15)14(10(13)17)4-6-2-3-7(18-6)9(16)12-11/h6-7H,2-5,11H2,1H3,(H,12,16)
InChIKeyKSYJPMNESJSPNK-UHFFFAOYSA-N
MW256.26 g/mol
LogP-1.58
Rot. Bonds3

About 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63578294) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63578294
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCN1CC(=O)N(CC2CCC(C(=O)NN)O2)C1=O
InChIInChI=1S/C10H16N4O4/c1-13-5-8(15)14(10(13)17)4-6-2-3-7(18-6)9(16)12-11/h6-7H,2-5,11H2,1H3,(H,12,16)
InChIKeyKSYJPMNESJSPNK-UHFFFAOYSA-N
XLogP-1.58
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 52
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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Related Compounds

5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
CID 63579176
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
CID 66076177
5-[(4-aminopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55214840
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266
5-[(2,4-dimethylpiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63573722
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
5-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]oxolane-2-carbohydrazide
CID 106839694
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]oxolane-2-carbohydrazide
CID 63578676
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
5-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]oxolane-2-carbohydrazide
CID 104735553

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide (CID 63578294) is 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide is CN1CC(=O)N(CC2CCC(C(=O)NN)O2)C1=O.
What is the InChIKey of 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is KSYJPMNESJSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-13-5-8(15)14(10(13)17)4-6-2-3-7(18-6)9(16)12-11/h6-7H,2-5,11H2,1H3,(H,12,16).
What are the key properties of 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 256.26 g/mol, XLogP of -1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63578294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).