(2R,3R)-2-phenyloxane-3-carbohydrazide

C12H16N2O2 — CID 122154727

IUPAC(2R,3R)-2-phenyloxane-3-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyHOXAIVDFJLSIQV-MNOVXSKESA-N
MW220.27 g/mol
LogP1.14
Rot. Bonds2

About (2R,3R)-2-phenyloxane-3-carbohydrazide

(2R,3R)-2-phenyloxane-3-carbohydrazide (PubChem CID 122154727) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R,3R)-2-phenyloxane-3-carbohydrazide.

Molecular Properties

Compound Name(2R,3R)-2-phenyloxane-3-carbohydrazide
PubChem CID122154727
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R,3R)-2-phenyloxane-3-carbohydrazide
SMILESNNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-14-12(15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyHOXAIVDFJLSIQV-MNOVXSKESA-N
XLogP1.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyloxane-3-carbohydrazide?
The IUPAC name of (2R,3R)-2-phenyloxane-3-carbohydrazide (CID 122154727) is (2R,3R)-2-phenyloxane-3-carbohydrazide.
What is the SMILES notation for (2R,3R)-2-phenyloxane-3-carbohydrazide?
The canonical SMILES for (2R,3R)-2-phenyloxane-3-carbohydrazide is NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyloxane-3-carbohydrazide?
The InChIKey is HOXAIVDFJLSIQV-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16N2O2/c13-14-12(15)10-7-4-8-16-11(10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,13H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (2R,3R)-2-phenyloxane-3-carbohydrazide?
(2R,3R)-2-phenyloxane-3-carbohydrazide has a molecular weight of 220.27 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyloxane-3-carbohydrazide is sourced from PubChem (CID 122154727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).