N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine

C16H25NO2Si — CID 150629221

IUPACN-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(C=NO)ccc21
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-15-9-7-13-10-12(11-17-18)6-8-14(13)15/h6,8,10-11,15,18H,7,9H2,1-5H3
InChIKeyIXNJQCLJVNXVNA-UHFFFAOYSA-N
MW291.47 g/mol
LogP4.50
Rot. Bonds3

About N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine

N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine (PubChem CID 150629221) has the molecular formula C16H25NO2Si and a molecular weight of 291.47 g/mol. Its IUPAC name is N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
PubChem CID150629221
Molecular FormulaC16H25NO2Si
Molecular Weight291.47 g/mol
Exact Mass291.17
IUPAC NameN-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OC1CCc2cc(C=NO)ccc21
InChIInChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-15-9-7-13-10-12(11-17-18)6-8-14(13)15/h6,8,10-11,15,18H,7,9H2,1-5H3
InChIKeyIXNJQCLJVNXVNA-UHFFFAOYSA-N
XLogP4.50
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-[[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methylidene]hydroxylamine
CID 11380504
N-[[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methylidene]hydroxylamine
CID 72751377
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-1,1-difluoro-2-methylpropan-2-ol
CID 77360299
tert-butyl-dimethyl-[(4-methylidene-2,3-dihydro-1H-naphthalen-1-yl)oxy]silane
CID 134980286
(1S)-5-[(E)-prop-1-en-2-yloxyiminomethyl]-2,3-dihydro-1H-inden-1-amine
CID 143344905
CID 66627003
CID 66627003
1-[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]pent-4-en-1-one
CID 123160452
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-cyclobutylmethanol
CID 67812161
[5-[tert-butyl(dimethyl)silyl]oxy-5,6,7,8-tetrahydroquinolin-2-yl]methanol
CID 163390764
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methylidene]hydroxylamine
CID 87286998
[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-4-yl]-(2,3-dimethylbutan-2-yloxy)methanol
CID 175133450
tert-butyl-[[4-(4-ethyl-3,3-dimethyloxetan-2-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 123396288

Frequently Asked Questions

What is the IUPAC name of N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine (CID 150629221) is N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine is CC(C)(C)[Si](C)(C)OC1CCc2cc(C=NO)ccc21.
What is the InChIKey of N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine?
The InChIKey is IXNJQCLJVNXVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2Si/c1-16(2,3)20(4,5)19-15-9-7-13-10-12(11-17-18)6-8-14(13)15/h6,8,10-11,15,18H,7,9H2,1-5H3.
What are the key properties of N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine?
N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine has a molecular weight of 291.47 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-5-yl]methylidene]hydroxylamine is sourced from PubChem (CID 150629221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).