(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine

C10H9NO2 — CID 144840727

IUPAC(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine
SMILESCc1coc2cc(/C=N/O)ccc12
InChIInChI=1S/C10H9NO2/c1-7-6-13-10-4-8(5-11-12)2-3-9(7)10/h2-6,12H,1H3/b11-5+
InChIKeyCSLONHIRCQURMW-VZUCSPMQSA-N
MW175.19 g/mol
LogP2.55
Rot. Bonds1

About (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine

(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine (PubChem CID 144840727) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine
PubChem CID144840727
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine
SMILESCc1coc2cc(/C=N/O)ccc12
InChIInChI=1S/C10H9NO2/c1-7-6-13-10-4-8(5-11-12)2-3-9(7)10/h2-6,12H,1H3/b11-5+
InChIKeyCSLONHIRCQURMW-VZUCSPMQSA-N
XLogP2.55
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.55
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 (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine (CID 144840727) is (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine is Cc1coc2cc(/C=N/O)ccc12.
What is the InChIKey of (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine?
The InChIKey is CSLONHIRCQURMW-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7-6-13-10-4-8(5-11-12)2-3-9(7)10/h2-6,12H,1H3/b11-5+.
What are the key properties of (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine?
(NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine has a molecular weight of 175.19 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-methyl-1-benzofuran-6-yl)methylidene]hydroxylamine is sourced from PubChem (CID 144840727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).