(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine

C15H12N2O2 — CID 13211252

IUPAC(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESNc1c(/C(=N/O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H12N2O2/c16-13-11-8-4-5-9-12(11)19-15(13)14(17-18)10-6-2-1-3-7-10/h1-9,18H,16H2/b17-14+
InChIKeyXTJIUUMIMHGMJK-SAPNQHFASA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine (PubChem CID 13211252) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
PubChem CID13211252
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
SMILESNc1c(/C(=N/O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H12N2O2/c16-13-11-8-4-5-9-12(11)19-15(13)14(17-18)10-6-2-1-3-7-10/h1-9,18H,16H2/b17-14+
InChIKeyXTJIUUMIMHGMJK-SAPNQHFASA-N
XLogP3.24
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(NE)-N-[(1-aminobenzo[e][1]benzofuran-2-yl)-phenylmethylidene]hydroxylamine
CID 10924651
N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
CID 71319911
3-amino-1-benzofuran-2-carboxamide
CID 600546
2-chloro-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-1-benzofuran-3-yl]acetamide
CID 135746798
2-phenyl-1-benzofuran-3-amine
CID 54532541
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
CID 16770285
tert-butyl 3-amino-1-benzofuran-2-carboxylate
CID 67529854
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
N-[1,3-benzoxazol-2-yl(phenyl)methylidene]hydroxylamine
CID 137201316
methyl 4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoate
CID 649591

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine (CID 13211252) is (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine is Nc1c(/C(=N/O)c2ccccc2)oc2ccccc12.
What is the InChIKey of (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is XTJIUUMIMHGMJK-SAPNQHFASA-N. The full InChI is InChI=1S/C15H12N2O2/c16-13-11-8-4-5-9-12(11)19-15(13)14(17-18)10-6-2-1-3-7-10/h1-9,18H,16H2/b17-14+.
What are the key properties of (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 13211252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).