(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine

C8H10N2O3 — CID 135449500

IUPAC(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine
SMILESCC(=N/O)/C(=N\O)c1ccc(C)o1
InChIInChI=1S/C8H10N2O3/c1-5-3-4-7(13-5)8(10-12)6(2)9-11/h3-4,11-12H,1-2H3/b9-6-,10-8+
InChIKeyYSWJWSRKMJDHNQ-NULKZJHKSA-N
MW182.18 g/mol
LogP1.62
Rot. Bonds2

About (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine

(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine (PubChem CID 135449500) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine
PubChem CID135449500
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine
SMILESCC(=N/O)/C(=N\O)c1ccc(C)o1
InChIInChI=1S/C8H10N2O3/c1-5-3-4-7(13-5)8(10-12)6(2)9-11/h3-4,11-12H,1-2H3/b9-6-,10-8+
InChIKeyYSWJWSRKMJDHNQ-NULKZJHKSA-N
XLogP1.62
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine (CID 135449500) is (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine is CC(=N/O)/C(=N\O)c1ccc(C)o1.
What is the InChIKey of (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine?
The InChIKey is YSWJWSRKMJDHNQ-NULKZJHKSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-3-4-7(13-5)8(10-12)6(2)9-11/h3-4,11-12H,1-2H3/b9-6-,10-8+.
What are the key properties of (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine?
(NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine has a molecular weight of 182.18 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(1E)-1-hydroxyimino-1-(5-methylfuran-2-yl)propan-2-ylidene]hydroxylamine is sourced from PubChem (CID 135449500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).