N-[1-(furan-2-yl)ethylidene]hydroxylamine

C6H7NO2 — CID 737308

IUPACN-[1-(furan-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccco1
InChIInChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3
InChIKeyRCUXWEHXMOUJCX-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.48
Rot. Bonds1

About N-[1-(furan-2-yl)ethylidene]hydroxylamine

N-[1-(furan-2-yl)ethylidene]hydroxylamine (PubChem CID 737308) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethylidene]hydroxylamine
PubChem CID737308
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC NameN-[1-(furan-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1ccco1
InChIInChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3
InChIKeyRCUXWEHXMOUJCX-UHFFFAOYSA-N
XLogP1.48
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[1-(furan-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(furan-2-yl)ethylidene]hydroxylamine (CID 737308) is N-[1-(furan-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(furan-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(furan-2-yl)ethylidene]hydroxylamine is CC(=NO)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethylidene]hydroxylamine?
The InChIKey is RCUXWEHXMOUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-5(7-8)6-3-2-4-9-6/h2-4,8H,1H3.
What are the key properties of N-[1-(furan-2-yl)ethylidene]hydroxylamine?
N-[1-(furan-2-yl)ethylidene]hydroxylamine has a molecular weight of 125.13 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 737308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).