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

C10H20N2O3 — CID 88790872

IUPAC(NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine
SMILESCCCCCCCC/C(C[N+](=O)[O-])=N\O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-8-10(11-13)9-12(14)15/h13H,2-9H2,1H3/b11-10+
InChIKeyDMAGFEVMHOCNBX-ZHACJKMWSA-N
MW216.28 g/mol
LogP2.84
Rot. Bonds9

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

(NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine (PubChem CID 88790872) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine
PubChem CID88790872
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine
SMILESCCCCCCCC/C(C[N+](=O)[O-])=N\O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-8-10(11-13)9-12(14)15/h13H,2-9H2,1H3/b11-10+
InChIKeyDMAGFEVMHOCNBX-ZHACJKMWSA-N
XLogP2.84
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

(NE)-N-(1-nitropentan-2-ylidene)hydroxylamine
CID 88790874
azane;1-nitrohexadecan-2-one
CID 88819593
N-nonan-4-ylidenehydroxylamine;hydrochloride
CID 86742675
1-nitroheptadecan-1-one
CID 140981948
nitric acid;octadecanoic acid
CID 87918075
hexadecanoic acid;3-methyl-4-nitrobut-2-en-1-ol
CID 173441559
1-nitrotriacontane
CID 154217337
N-nonadec-1-en-4-ylidenehydroxylamine
CID 174804170
octadecane-9,10-dione
CID 10902085
nonatriacontane-16,17-dione
CID 175447711
pentakis(cadmium(2+));decakis(decanoate)
CID 157126862
N-methyloctan-3-imine
CID 550941

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine (CID 88790872) is (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine is CCCCCCCC/C(C[N+](=O)[O-])=N\O.
What is the InChIKey of (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine?
The InChIKey is DMAGFEVMHOCNBX-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-5-6-7-8-10(11-13)9-12(14)15/h13H,2-9H2,1H3/b11-10+.
What are the key properties of (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine?
(NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine has a molecular weight of 216.28 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-nitrodecan-2-ylidene)hydroxylamine is sourced from PubChem (CID 88790872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).