N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine

C11H16N4O3 — CID 80914766

IUPACN-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
SMILESNNc1cc(NC2CCCOC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-14-10-4-9(5-11(6-10)15(16)17)13-8-2-1-3-18-7-8/h4-6,8,13-14H,1-3,7,12H2
InChIKeyCMIZIBDEXGGHDY-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.47
Rot. Bonds4

About N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine

N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine (PubChem CID 80914766) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine.

Molecular Properties

Compound NameN-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
PubChem CID80914766
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine
SMILESNNc1cc(NC2CCCOC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H16N4O3/c12-14-10-4-9(5-11(6-10)15(16)17)13-8-2-1-3-18-7-8/h4-6,8,13-14H,1-3,7,12H2
InChIKeyCMIZIBDEXGGHDY-UHFFFAOYSA-N
XLogP1.47
TPSA102.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine?
The IUPAC name of N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine (CID 80914766) is N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine.
What is the SMILES notation for N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine?
The canonical SMILES for N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine is NNc1cc(NC2CCCOC2)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine?
The InChIKey is CMIZIBDEXGGHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-14-10-4-9(5-11(6-10)15(16)17)13-8-2-1-3-18-7-8/h4-6,8,13-14H,1-3,7,12H2.
What are the key properties of N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine?
N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine has a molecular weight of 252.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydrazinyl-5-nitrophenyl)oxan-3-amine is sourced from PubChem (CID 80914766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).