(NE)-N-(4-nitropentan-2-ylidene)hydroxylamine

C5H10N2O3 — CID 15311027

IUPAC(NE)-N-(4-nitropentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)[N+](=O)[O-])=N\O
InChIInChI=1S/C5H10N2O3/c1-4(6-8)3-5(2)7(9)10/h5,8H,3H2,1-2H3/b6-4+
InChIKeyIPGXNXIPNMCFPL-GQCTYLIASA-N
MW146.15 g/mol
LogP0.89
Rot. Bonds3

About (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine

(NE)-N-(4-nitropentan-2-ylidene)hydroxylamine (PubChem CID 15311027) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(4-nitropentan-2-ylidene)hydroxylamine
PubChem CID15311027
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(NE)-N-(4-nitropentan-2-ylidene)hydroxylamine
SMILESC/C(CC(C)[N+](=O)[O-])=N\O
InChIInChI=1S/C5H10N2O3/c1-4(6-8)3-5(2)7(9)10/h5,8H,3H2,1-2H3/b6-4+
InChIKeyIPGXNXIPNMCFPL-GQCTYLIASA-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 (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine (CID 15311027) is (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine is C/C(CC(C)[N+](=O)[O-])=N\O.
What is the InChIKey of (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine?
The InChIKey is IPGXNXIPNMCFPL-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O3/c1-4(6-8)3-5(2)7(9)10/h5,8H,3H2,1-2H3/b6-4+.
What are the key properties of (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine?
(NE)-N-(4-nitropentan-2-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 (NE)-N-(4-nitropentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 15311027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).