(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine

C5H10N2O3 — CID 88790874

IUPAC(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine
SMILESCCC/C(C[N+](=O)[O-])=N\O
InChIInChI=1S/C5H10N2O3/c1-2-3-5(6-8)4-7(9)10/h8H,2-4H2,1H3/b6-5+
InChIKeyDILJZICTVUSFRQ-AATRIKPKSA-N
MW146.15 g/mol
LogP0.89
Rot. Bonds4

About (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine

(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine (PubChem CID 88790874) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine
PubChem CID88790874
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine
SMILESCCC/C(C[N+](=O)[O-])=N\O
InChIInChI=1S/C5H10N2O3/c1-2-3-5(6-8)4-7(9)10/h8H,2-4H2,1H3/b6-5+
InChIKeyDILJZICTVUSFRQ-AATRIKPKSA-N
XLogP0.89
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-(1-nitropentan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine (CID 88790874) is (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine is CCC/C(C[N+](=O)[O-])=N\O.
What is the InChIKey of (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine?
The InChIKey is DILJZICTVUSFRQ-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-2-3-5(6-8)4-7(9)10/h8H,2-4H2,1H3/b6-5+.
What are the key properties of (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine?
(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine has a molecular weight of 146.15 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-nitropentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88790874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).