N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine

C10H14N2O2 — CID 54041165

IUPACN-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
SMILESONc1cc2c(cc1NO)CCCC2
InChIInChI=1S/C10H14N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h5-6,11-14H,1-4H2
InChIKeyLMLJCBMFSBGVEE-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.17
Rot. Bonds2

About N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine

N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine (PubChem CID 54041165) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
PubChem CID54041165
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine
SMILESONc1cc2c(cc1NO)CCCC2
InChIInChI=1S/C10H14N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h5-6,11-14H,1-4H2
InChIKeyLMLJCBMFSBGVEE-UHFFFAOYSA-N
XLogP2.17
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-N-dimethoxy-5,6,7,8-tetrahydronaphthalene-2,3-diamine
CID 54337349
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
2,3-dihydro-1H-indene-5,6-diol
CID 13058959
(6-chloro-2,3-dihydro-1H-inden-5-yl)carbamic acid
CID 175811159
2,3,4,5,7,8,9,10-octahydro-1H-benzo[h][3]benzazepine
CID 29078509
N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)adamantane-1-carboxamide
CID 140896369
2-[(6-bromo-2,3-dihydro-1H-inden-5-yl)amino]ethanol
CID 130637839
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-3-carboxylic acid
CID 163567467
2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]
CID 640520
5,6,7,8-tetrahydroisochromen-3-one
CID 14293006
N-(6-cyano-2,3-dihydro-1H-inden-5-yl)acetamide
CID 10536029
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine?
The IUPAC name of N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine (CID 54041165) is N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine.
What is the SMILES notation for N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine?
The canonical SMILES for N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine is ONc1cc2c(cc1NO)CCCC2.
What is the InChIKey of N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine?
The InChIKey is LMLJCBMFSBGVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-11-9-5-7-3-1-2-4-8(7)6-10(9)12-14/h5-6,11-14H,1-4H2.
What are the key properties of N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine?
N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine has a molecular weight of 194.23 g/mol, XLogP of 2.17, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-yl]hydroxylamine is sourced from PubChem (CID 54041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).