5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide

C16H18N2O3 — CID 63576009

IUPAC5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2cccc3ccccc23)O1
InChIInChI=1S/C16H18N2O3/c17-18-16(19)15-9-8-12(21-15)10-20-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,17H2,(H,18,19)
InChIKeyJLMSLRDEQJVOKC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.76
Rot. Bonds4

About 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide

5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide (PubChem CID 63576009) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
PubChem CID63576009
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COc2cccc3ccccc23)O1
InChIInChI=1S/C16H18N2O3/c17-18-16(19)15-9-8-12(21-15)10-20-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,17H2,(H,18,19)
InChIKeyJLMSLRDEQJVOKC-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide (CID 63576009) is 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(COc2cccc3ccccc23)O1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide?
The InChIKey is JLMSLRDEQJVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-18-16(19)15-9-8-12(21-15)10-20-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,15H,8-10,17H2,(H,18,19).
What are the key properties of 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide?
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide has a molecular weight of 286.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63576009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).