N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride

C7H6ClNO2 — CID 175698088

IUPACN-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride
SMILESC#Cc1ccoc1C=NO.Cl
InChIInChI=1S/C7H5NO2.ClH/c1-2-6-3-4-10-7(6)5-8-9;/h1,3-5,9H;1H
InChIKeyPGBXQNJCOVFHDV-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.49
Rot. Bonds1

About N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride

N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride (PubChem CID 175698088) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride
PubChem CID175698088
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC NameN-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride
SMILESC#Cc1ccoc1C=NO.Cl
InChIInChI=1S/C7H5NO2.ClH/c1-2-6-3-4-10-7(6)5-8-9;/h1,3-5,9H;1H
InChIKeyPGBXQNJCOVFHDV-UHFFFAOYSA-N
XLogP1.49
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.49
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride?
The IUPAC name of N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride (CID 175698088) is N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride.
What is the SMILES notation for N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride?
The canonical SMILES for N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride is C#Cc1ccoc1C=NO.Cl.
What is the InChIKey of N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride?
The InChIKey is PGBXQNJCOVFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2.ClH/c1-2-6-3-4-10-7(6)5-8-9;/h1,3-5,9H;1H.
What are the key properties of N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride?
N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride has a molecular weight of 171.58 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethynylfuran-2-yl)methylidene]hydroxylamine;hydrochloride is sourced from PubChem (CID 175698088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).