oxepane-3-carbohydrazide

C7H14N2O2 — CID 84650776

IUPACoxepane-3-carbohydrazide
SMILESNNC(=O)C1CCCCOC1
InChIInChI=1S/C7H14N2O2/c8-9-7(10)6-3-1-2-4-11-5-6/h6H,1-5,8H2,(H,9,10)
InChIKeyYYOZSQOYBDEPBK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.21
Rot. Bonds1

About oxepane-3-carbohydrazide

oxepane-3-carbohydrazide (PubChem CID 84650776) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is oxepane-3-carbohydrazide.

Molecular Properties

Compound Nameoxepane-3-carbohydrazide
PubChem CID84650776
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameoxepane-3-carbohydrazide
SMILESNNC(=O)C1CCCCOC1
InChIInChI=1S/C7H14N2O2/c8-9-7(10)6-3-1-2-4-11-5-6/h6H,1-5,8H2,(H,9,10)
InChIKeyYYOZSQOYBDEPBK-UHFFFAOYSA-N
XLogP-0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
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

ethane;oxolane-3-carbohydrazide;pyrrolidine-1-carbohydrazide
CID 142545386
oxane-3-carboxamide
CID 22714381
N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
(3R)-oxane-3-carboxylic acid
CID 42554318
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
N-(2,3,3-trimethylbutan-2-yl)oxane-3-carboxamide
CID 167749080
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-(2-carbamoylcyclopentyl)oxane-3-carboxamide
CID 71989742
N-amino-N'-cycloheptyloxane-3-carboximidamide
CID 63015816
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566
oxan-2-yl(oxan-3-yl)methanone
CID 107138647

Frequently Asked Questions

What is the IUPAC name of oxepane-3-carbohydrazide?
The IUPAC name of oxepane-3-carbohydrazide (CID 84650776) is oxepane-3-carbohydrazide.
What is the SMILES notation for oxepane-3-carbohydrazide?
The canonical SMILES for oxepane-3-carbohydrazide is NNC(=O)C1CCCCOC1.
What is the InChIKey of oxepane-3-carbohydrazide?
The InChIKey is YYOZSQOYBDEPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-9-7(10)6-3-1-2-4-11-5-6/h6H,1-5,8H2,(H,9,10).
What are the key properties of oxepane-3-carbohydrazide?
oxepane-3-carbohydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxepane-3-carbohydrazide is sourced from PubChem (CID 84650776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).