N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine

C10H13NO2 — CID 4156895

IUPACN-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine
SMILESCC1(C)C=C(NO)c2ccoc2C1
InChIInChI=1S/C10H13NO2/c1-10(2)5-8(11-12)7-3-4-13-9(7)6-10/h3-5,11-12H,6H2,1-2H3
InChIKeyMLZIEZYJQMPYQN-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.18
Rot. Bonds1

About N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine

N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine (PubChem CID 4156895) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine
PubChem CID4156895
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine
SMILESCC1(C)C=C(NO)c2ccoc2C1
InChIInChI=1S/C10H13NO2/c1-10(2)5-8(11-12)7-3-4-13-9(7)6-10/h3-5,11-12H,6H2,1-2H3
InChIKeyMLZIEZYJQMPYQN-UHFFFAOYSA-N
XLogP2.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5a-methyl-5,6-dihydro-4H-cyclopenta[e][1]benzofuran-7-one
CID 86047582
(1R,9R,11R,14S)-9,14-dimethyl-4,12-dioxatetracyclo[9.2.1.01,9.03,7]tetradeca-3(7),5-diene-8,13-dione
CID 14164941
methyl 4-oxo-6,7-dihydro-5H-1-benzofuran-5-carboxylate
CID 11310068
(2S)-1-[(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]propan-2-ol
CID 103906554
7H-furo[3,2-c]pyridine-4,6-dione
CID 55283626
6,7-dihydro-5H-1-benzofuran-4-one;ethane
CID 91171294
N-(2-bromoprop-2-enyl)-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-amine
CID 115717196
methyl (2Z)-2-(6,7-dihydro-5H-1-benzofuran-4-ylidene)acetate
CID 115466743
1-(5-hydroxy-4,5,6,7-tetrahydro-1-benzofuran-4-yl)ethanone
CID 130150891
tert-butyl N-[(S)-(4-fluorophenyl)-[(5R)-5-methyl-4-oxo-6,7-dihydro-1-benzofuran-5-yl]methyl]carbamate
CID 134954974
6,7-dihydro-1-benzofuran-4-carboxylic acid
CID 174943247
spiro[6,7-dihydro-1-benzofuran-5,1'-cyclobutane]-4-one
CID 112714431

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine?
The IUPAC name of N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine (CID 4156895) is N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine.
What is the SMILES notation for N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine?
The canonical SMILES for N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine is CC1(C)C=C(NO)c2ccoc2C1.
What is the InChIKey of N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine?
The InChIKey is MLZIEZYJQMPYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-10(2)5-8(11-12)7-3-4-13-9(7)6-10/h3-5,11-12H,6H2,1-2H3.
What are the key properties of N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine?
N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-7H-1-benzofuran-4-yl)hydroxylamine is sourced from PubChem (CID 4156895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).