N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide

C15H18N2O3 — CID 2834275

IUPACN'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)C1CC12CCC2
InChIInChI=1S/C15H18N2O3/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(19)12-9-15(12)7-4-8-15/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,17,19)
InChIKeyWYDYUDUFGNWOLA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds4

About N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide

N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide (PubChem CID 2834275) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide
PubChem CID2834275
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide
SMILESO=C(COc1ccccc1)NNC(=O)C1CC12CCC2
InChIInChI=1S/C15H18N2O3/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(19)12-9-15(12)7-4-8-15/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,17,19)
InChIKeyWYDYUDUFGNWOLA-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
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'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide?
The IUPAC name of N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide (CID 2834275) is N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide.
What is the SMILES notation for N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide?
The canonical SMILES for N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide is O=C(COc1ccccc1)NNC(=O)C1CC12CCC2.
What is the InChIKey of N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide?
The InChIKey is WYDYUDUFGNWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-13(10-20-11-5-2-1-3-6-11)16-17-14(19)12-9-15(12)7-4-8-15/h1-3,5-6,12H,4,7-10H2,(H,16,18)(H,17,19).
What are the key properties of N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide?
N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide is sourced from PubChem (CID 2834275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).