N-methyloxane-4-carbohydrazide

C7H14N2O2 — CID 116845691

IUPACN-methyloxane-4-carbohydrazide
SMILESCN(N)C(=O)C1CCOCC1
InChIInChI=1S/C7H14N2O2/c1-9(8)7(10)6-2-4-11-5-3-6/h6H,2-5,8H2,1H3
InChIKeyXHRJYHBJDZSJSJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.25
Rot. Bonds1

About N-methyloxane-4-carbohydrazide

N-methyloxane-4-carbohydrazide (PubChem CID 116845691) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-methyloxane-4-carbohydrazide.

Molecular Properties

Compound NameN-methyloxane-4-carbohydrazide
PubChem CID116845691
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-methyloxane-4-carbohydrazide
SMILESCN(N)C(=O)C1CCOCC1
InChIInChI=1S/C7H14N2O2/c1-9(8)7(10)6-2-4-11-5-3-6/h6H,2-5,8H2,1H3
InChIKeyXHRJYHBJDZSJSJ-UHFFFAOYSA-N
XLogP-0.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide
CID 127433131
oxane-4-carbonyl fluoride
CID 142990314
oxane-4-carboxamide
CID 13197203
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029
N-(2-amino-3-methoxypropyl)-N-methyloxane-4-carboxamide
CID 63754571
N-(2-hydroxyethyl)-N-propyloxane-4-carboxamide
CID 60670853
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)cyclobutanecarboxamide
CID 90607111
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
(3R)-N-methoxy-N-methyloxolane-3-carboxamide
CID 93496982

Frequently Asked Questions

What is the IUPAC name of N-methyloxane-4-carbohydrazide?
The IUPAC name of N-methyloxane-4-carbohydrazide (CID 116845691) is N-methyloxane-4-carbohydrazide.
What is the SMILES notation for N-methyloxane-4-carbohydrazide?
The canonical SMILES for N-methyloxane-4-carbohydrazide is CN(N)C(=O)C1CCOCC1.
What is the InChIKey of N-methyloxane-4-carbohydrazide?
The InChIKey is XHRJYHBJDZSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(8)7(10)6-2-4-11-5-3-6/h6H,2-5,8H2,1H3.
What are the key properties of N-methyloxane-4-carbohydrazide?
N-methyloxane-4-carbohydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloxane-4-carbohydrazide is sourced from PubChem (CID 116845691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).