(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine

C5H10N2O3 — CID 21313717

IUPAC(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
SMILESCC/C(=N/O)C(C)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3-5(6-8)4(2)7(9)10/h4,8H,3H2,1-2H3/b6-5-
InChIKeyMDDKYQLYBSKJJZ-WAYWQWQTSA-N
MW146.15 g/mol
LogP0.89
Rot. Bonds3

About (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine

(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine (PubChem CID 21313717) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
PubChem CID21313717
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine
SMILESCC/C(=N/O)C(C)[N+](=O)[O-]
InChIInChI=1S/C5H10N2O3/c1-3-5(6-8)4(2)7(9)10/h4,8H,3H2,1-2H3/b6-5-
InChIKeyMDDKYQLYBSKJJZ-WAYWQWQTSA-N
XLogP0.89
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine (CID 21313717) is (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine is CC/C(=N/O)C(C)[N+](=O)[O-].
What is the InChIKey of (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine?
The InChIKey is MDDKYQLYBSKJJZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3-5(6-8)4(2)7(9)10/h4,8H,3H2,1-2H3/b6-5-.
What are the key properties of (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine?
(NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine has a molecular weight of 146.15 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2-nitropentan-3-ylidene)hydroxylamine is sourced from PubChem (CID 21313717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).