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

C10H10N2O2 — CID 71319911

IUPACN-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1oc2ccccc2c1N
InChIInChI=1S/C10H10N2O2/c1-6(12-13)10-9(11)7-4-2-3-5-8(7)14-10/h2-5,13H,11H2,1H3
InChIKeyYFSNLZRWEAITTH-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.21
Rot. Bonds1

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

N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine (PubChem CID 71319911) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
PubChem CID71319911
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine
SMILESCC(=NO)c1oc2ccccc2c1N
InChIInChI=1S/C10H10N2O2/c1-6(12-13)10-9(11)7-4-2-3-5-8(7)14-10/h2-5,13H,11H2,1H3
InChIKeyYFSNLZRWEAITTH-UHFFFAOYSA-N
XLogP2.21
TPSA71.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.21
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-[(3-amino-1-benzofuran-2-yl)-phenylmethylidene]hydroxylamine
CID 13211252
3-amino-1-benzofuran-2-carboxamide
CID 600546
tert-butyl 3-amino-1-benzofuran-2-carboxylate
CID 67529854
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
(3-amino-1-benzofuran-2-yl)-cyclopropylmethanone
CID 608478
methyl 4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoate
CID 649591
(3-amino-1-benzofuran-2-yl)-(2-bromophenyl)methanone
CID 16770285
(3-amino-1-benzofuran-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 622395
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
(3-amino-1-benzofuran-2-yl)-(5-methoxy-1-benzofuran-3-yl)methanone
CID 3140654
3-methyl-1-benzofuran-2-carbothioamide
CID 83591316
2-phenyl-1-benzofuran-3-amine
CID 54532541

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine (CID 71319911) is N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine is CC(=NO)c1oc2ccccc2c1N.
What is the InChIKey of N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The InChIKey is YFSNLZRWEAITTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-6(12-13)10-9(11)7-4-2-3-5-8(7)14-10/h2-5,13H,11H2,1H3.
What are the key properties of N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine?
N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine has a molecular weight of 190.20 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1-benzofuran-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 71319911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).