5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide

C12H22N4O2 — CID 63583878

IUPAC5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCCN(CC(C)C#N)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C12H22N4O2/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h9-11H,3-5,7-8,14H2,1-2H3,(H,15,17)
InChIKeyQXSXDBYGNLEVGZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.01
Rot. Bonds6

About 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide

5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide (PubChem CID 63583878) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide
PubChem CID63583878
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide
SMILESCCN(CC(C)C#N)CC1CCC(C(=O)NN)O1
InChIInChI=1S/C12H22N4O2/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h9-11H,3-5,7-8,14H2,1-2H3,(H,15,17)
InChIKeyQXSXDBYGNLEVGZ-UHFFFAOYSA-N
XLogP0.01
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide (CID 63583878) is 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide is CCN(CC(C)C#N)CC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide?
The InChIKey is QXSXDBYGNLEVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-16(7-9(2)6-13)8-10-4-5-11(18-10)12(17)15-14/h9-11H,3-5,7-8,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide?
5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide has a molecular weight of 254.33 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-cyanopropyl(ethyl)amino]methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63583878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).