N-(2-aminophenyl)oxetane-3-carbohydrazide

C10H13N3O2 — CID 172574586

IUPACN-(2-aminophenyl)oxetane-3-carbohydrazide
SMILESNc1ccccc1N(N)C(=O)C1COC1
InChIInChI=1S/C10H13N3O2/c11-8-3-1-2-4-9(8)13(12)10(14)7-5-15-6-7/h1-4,7H,5-6,11-12H2
InChIKeyDQWPWRHYZSGTIW-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.12
Rot. Bonds2

About N-(2-aminophenyl)oxetane-3-carbohydrazide

N-(2-aminophenyl)oxetane-3-carbohydrazide (PubChem CID 172574586) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2-aminophenyl)oxetane-3-carbohydrazide.

Molecular Properties

Compound NameN-(2-aminophenyl)oxetane-3-carbohydrazide
PubChem CID172574586
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC NameN-(2-aminophenyl)oxetane-3-carbohydrazide
SMILESNc1ccccc1N(N)C(=O)C1COC1
InChIInChI=1S/C10H13N3O2/c11-8-3-1-2-4-9(8)13(12)10(14)7-5-15-6-7/h1-4,7H,5-6,11-12H2
InChIKeyDQWPWRHYZSGTIW-UHFFFAOYSA-N
XLogP0.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 N-(2-aminophenyl)oxetane-3-carbohydrazide?
The IUPAC name of N-(2-aminophenyl)oxetane-3-carbohydrazide (CID 172574586) is N-(2-aminophenyl)oxetane-3-carbohydrazide.
What is the SMILES notation for N-(2-aminophenyl)oxetane-3-carbohydrazide?
The canonical SMILES for N-(2-aminophenyl)oxetane-3-carbohydrazide is Nc1ccccc1N(N)C(=O)C1COC1.
What is the InChIKey of N-(2-aminophenyl)oxetane-3-carbohydrazide?
The InChIKey is DQWPWRHYZSGTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8-3-1-2-4-9(8)13(12)10(14)7-5-15-6-7/h1-4,7H,5-6,11-12H2.
What are the key properties of N-(2-aminophenyl)oxetane-3-carbohydrazide?
N-(2-aminophenyl)oxetane-3-carbohydrazide has a molecular weight of 207.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)oxetane-3-carbohydrazide is sourced from PubChem (CID 172574586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).