(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

C8H12N2O3 — CID 5465833

IUPAC(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)/C(=N\O)c1ccco1
InChIInChI=1S/C8H12N2O3/c1-8(2,10-12)7(9-11)6-4-3-5-13-6/h3-5,10-12H,1-2H3/b9-7-
InChIKeyIEDNMVLLYRUTFY-CLFYSBASSA-N
MW184.20 g/mol
LogP1.22
Rot. Bonds3

About (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine

(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (PubChem CID 5465833) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
PubChem CID5465833
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine
SMILESCC(C)(NO)/C(=N\O)c1ccco1
InChIInChI=1S/C8H12N2O3/c1-8(2,10-12)7(9-11)6-4-3-5-13-6/h3-5,10-12H,1-2H3/b9-7-
InChIKeyIEDNMVLLYRUTFY-CLFYSBASSA-N
XLogP1.22
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine (CID 5465833) is (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is CC(C)(NO)/C(=N\O)c1ccco1.
What is the InChIKey of (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
The InChIKey is IEDNMVLLYRUTFY-CLFYSBASSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,10-12)7(9-11)6-4-3-5-13-6/h3-5,10-12H,1-2H3/b9-7-.
What are the key properties of (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine?
(NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine has a molecular weight of 184.20 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(furan-2-yl)-2-(hydroxyamino)-2-methylpropylidene]hydroxylamine is sourced from PubChem (CID 5465833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).