N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine

C11H12ClNO2 — CID 87389172

IUPACN-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
SMILESCC1(C)Cc2cc(Cl)cc(C=NO)c2O1
InChIInChI=1S/C11H12ClNO2/c1-11(2)5-7-3-9(12)4-8(6-13-14)10(7)15-11/h3-4,6,14H,5H2,1-2H3
InChIKeyUDYVXCVOLHOBAM-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.86
Rot. Bonds1

About N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine

N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine (PubChem CID 87389172) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
PubChem CID87389172
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine
SMILESCC1(C)Cc2cc(Cl)cc(C=NO)c2O1
InChIInChI=1S/C11H12ClNO2/c1-11(2)5-7-3-9(12)4-8(6-13-14)10(7)15-11/h3-4,6,14H,5H2,1-2H3
InChIKeyUDYVXCVOLHOBAM-UHFFFAOYSA-N
XLogP2.86
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.86
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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Related Compounds

7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 58294043
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076
(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl) hydrogen carbonate
CID 67793213
5-chloro-2,2-dimethyl-7-phenyl-3H-1-benzofuran
CID 145039185
1-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclopropan-1-amine
CID 117382918
5-chloro-2,2-dimethyl-N-(oxomethylidene)-3H-1-benzofuran-7-sulfonamide
CID 71330591
[1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)cyclobutyl]methanamine
CID 117418812
5-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117414117
5-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-1-methylpyrazole-3-carboxylic acid
CID 117491903
6-chloro-8-[(Z)-hydroxyiminomethyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 87988242
2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
CID 117354119

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine (CID 87389172) is N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine is CC1(C)Cc2cc(Cl)cc(C=NO)c2O1.
What is the InChIKey of N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine?
The InChIKey is UDYVXCVOLHOBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-11(2)5-7-3-9(12)4-8(6-13-14)10(7)15-11/h3-4,6,14H,5H2,1-2H3.
What are the key properties of N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine?
N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine has a molecular weight of 225.68 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methylidene]hydroxylamine is sourced from PubChem (CID 87389172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).