N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine

C11H11NO3 — CID 1489109

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
SMILESCOc1cccc2cc(C(C)=NO)oc12
InChIInChI=1S/C11H11NO3/c1-7(12-13)10-6-8-4-3-5-9(14-2)11(8)15-10/h3-6,13H,1-2H3
InChIKeyNAZNLQCRONMNFV-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.64
Rot. Bonds2

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine (PubChem CID 1489109) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
PubChem CID1489109
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine
SMILESCOc1cccc2cc(C(C)=NO)oc12
InChIInChI=1S/C11H11NO3/c1-7(12-13)10-6-8-4-3-5-9(14-2)11(8)15-10/h3-6,13H,1-2H3
InChIKeyNAZNLQCRONMNFV-UHFFFAOYSA-N
XLogP2.64
TPSA54.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
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

1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
1-cyclopropyl-3-[(E)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]thiourea
CID 75362093
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-(3-methoxyphenyl)thiourea
CID 9256403
1-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175722
(2,4-dichlorophenyl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 1480056
1-[1-(7-methoxy-1-benzofuran-2-yl)ethenyl]pyrrolidine
CID 21258113
2-iodo-7-methoxy-1-benzofuran
CID 147263066
N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9463204
(E)-1-(7-methoxy-1-benzofuran-2-yl)-2-methyl-N-prop-1-en-2-yloxybutan-1-imine
CID 142029441
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 111696335
(E)-1-(7-methoxy-1-benzofuran-2-yl)-3-phenylprop-2-en-1-one
CID 8830594

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine (CID 1489109) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine is COc1cccc2cc(C(C)=NO)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine?
The InChIKey is NAZNLQCRONMNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(12-13)10-6-8-4-3-5-9(14-2)11(8)15-10/h3-6,13H,1-2H3.
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine has a molecular weight of 205.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 1489109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).