N',N'-dimethyloxane-4-carbohydrazide

C8H16N2O2 — CID 116848029

IUPACN',N'-dimethyloxane-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-10(2)9-8(11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBLESESUBFCXJQY-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds2

About N',N'-dimethyloxane-4-carbohydrazide

N',N'-dimethyloxane-4-carbohydrazide (PubChem CID 116848029) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N',N'-dimethyloxane-4-carbohydrazide.

Molecular Properties

Compound NameN',N'-dimethyloxane-4-carbohydrazide
PubChem CID116848029
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN',N'-dimethyloxane-4-carbohydrazide
SMILESCN(C)NC(=O)C1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-10(2)9-8(11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H,9,11)
InChIKeyBLESESUBFCXJQY-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyloxane-4-carbohydrazide?
The IUPAC name of N',N'-dimethyloxane-4-carbohydrazide (CID 116848029) is N',N'-dimethyloxane-4-carbohydrazide.
What is the SMILES notation for N',N'-dimethyloxane-4-carbohydrazide?
The canonical SMILES for N',N'-dimethyloxane-4-carbohydrazide is CN(C)NC(=O)C1CCOCC1.
What is the InChIKey of N',N'-dimethyloxane-4-carbohydrazide?
The InChIKey is BLESESUBFCXJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)9-8(11)7-3-5-12-6-4-7/h7H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N',N'-dimethyloxane-4-carbohydrazide?
N',N'-dimethyloxane-4-carbohydrazide has a molecular weight of 172.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyloxane-4-carbohydrazide is sourced from PubChem (CID 116848029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).