2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide

C8H15N3O3 — CID 131223612

IUPAC2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide
SMILESCC1COCCN(C(=O)C(=O)NN)C1
InChIInChI=1S/C8H15N3O3/c1-6-4-11(2-3-14-5-6)8(13)7(12)10-9/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyRAAHQMCNBPQFRP-UHFFFAOYSA-N
MW201.23 g/mol
LogP-1.53
Rot. Bonds

About 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide

2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide (PubChem CID 131223612) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide
PubChem CID131223612
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide
SMILESCC1COCCN(C(=O)C(=O)NN)C1
InChIInChI=1S/C8H15N3O3/c1-6-4-11(2-3-14-5-6)8(13)7(12)10-9/h6H,2-5,9H2,1H3,(H,10,12)
InChIKeyRAAHQMCNBPQFRP-UHFFFAOYSA-N
XLogP-1.53
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1,4-oxazepane-4-carbonyl chloride
CID 131001720
2-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
(E)-1-(6-methyl-1,4-oxazepan-4-yl)but-2-en-1-one
CID 131233247
2-(4-methylpiperazin-1-yl)-2-oxoacetohydrazide
CID 2760035
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
6-hydroxy-1,4-oxazepane-4-carboxamide
CID 130942569
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
2-(6-methyl-1,4-oxazepan-4-yl)acetic acid
CID 131059180
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
morpholine-4-carbohydrazide;hydrochloride
CID 138112583
6-(methylamino)-1,4-oxazepane-4-carboxylic acid
CID 67518083
2-(3-methylmorpholin-4-yl)propanehydrazide
CID 63573861

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide?
The IUPAC name of 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide (CID 131223612) is 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide.
What is the SMILES notation for 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide?
The canonical SMILES for 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide is CC1COCCN(C(=O)C(=O)NN)C1.
What is the InChIKey of 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide?
The InChIKey is RAAHQMCNBPQFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-6-4-11(2-3-14-5-6)8(13)7(12)10-9/h6H,2-5,9H2,1H3,(H,10,12).
What are the key properties of 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide?
2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide has a molecular weight of 201.23 g/mol, XLogP of -1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,4-oxazepan-4-yl)-2-oxoacetohydrazide is sourced from PubChem (CID 131223612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).