5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide

C13H20N4O4 — CID 63579176

IUPAC5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2C(=O)NC3(CCCC3)C2=O)O1
InChIInChI=1S/C13H20N4O4/c14-16-10(18)9-4-3-8(21-9)7-17-11(19)13(15-12(17)20)5-1-2-6-13/h8-9H,1-7,14H2,(H,15,20)(H,16,18)
InChIKeyNUBYCVYBQDVCBZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.61
Rot. Bonds3

About 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide

5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 63579176) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
PubChem CID63579176
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(CN2C(=O)NC3(CCCC3)C2=O)O1
InChIInChI=1S/C13H20N4O4/c14-16-10(18)9-4-3-8(21-9)7-17-11(19)13(15-12(17)20)5-1-2-6-13/h8-9H,1-7,14H2,(H,15,20)(H,16,18)
InChIKeyNUBYCVYBQDVCBZ-UHFFFAOYSA-N
XLogP-0.61
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.61
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'}

Analyze 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide with MolForge

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Related Compounds

5-[(2-oxopiperidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 55213682
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
CID 66076177
3-[[(2S)-oxan-2-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 41176811
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
5-[(2,4-dimethyl-6-oxopyrimidin-1-yl)methyl]oxolane-2-carbohydrazide
CID 63795266
hydrazinyl 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 66337140
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]oxolane-2-carbohydrazide
CID 107226639
5-[(4-acetyl-1,4-diazepan-1-yl)methyl]oxolane-2-carbohydrazide
CID 63584925
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64532844
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)oxolane-2-carbohydrazide
CID 64578509
5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63581238
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)oxolane-2-carbohydrazide
CID 79925472

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide (CID 63579176) is 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide is NNC(=O)C1CCC(CN2C(=O)NC3(CCCC3)C2=O)O1.
What is the InChIKey of 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is NUBYCVYBQDVCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c14-16-10(18)9-4-3-8(21-9)7-17-11(19)13(15-12(17)20)5-1-2-6-13/h8-9H,1-7,14H2,(H,15,20)(H,16,18).
What are the key properties of 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide?
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 296.33 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63579176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).