N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine

C10H18N2O4-2 — CID 163603149

IUPACN-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine
SMILESCC1=C(C)C(N([O-])O)C(N([O-])O)C(C)C1C
InChIInChI=1S/C10H18N2O4/c1-5-6(2)8(4)10(12(15)16)9(7(5)3)11(13)14/h5,7,9-10,13,15H,1-4H3/q-2
InChIKeyAFHKOTSILTUJKI-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.72
Rot. Bonds2

About N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine

N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine (PubChem CID 163603149) has the molecular formula C10H18N2O4-2 and a molecular weight of 230.26 g/mol. Its IUPAC name is N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine
PubChem CID163603149
Molecular FormulaC10H18N2O4-2
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine
SMILESCC1=C(C)C(N([O-])O)C(N([O-])O)C(C)C1C
InChIInChI=1S/C10H18N2O4/c1-5-6(2)8(4)10(12(15)16)9(7(5)3)11(13)14/h5,7,9-10,13,15H,1-4H3/q-2
InChIKeyAFHKOTSILTUJKI-UHFFFAOYSA-N
XLogP1.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
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CID 91251322
(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
CID 91386552
1,2,3,4-tetramethylcyclobutene
CID 565395
2,3-dimethylcyclopropen-1-ol
CID 58816589
bis((3R,5S)-1,2,3,4,5-pentamethylcyclopentene);bis(prop-1-ene);(3S,5R)-1,2,3,4-tetramethyl-5-[[(1R,4S)-2,3,4,5-tetramethylcyclopent-2-en-1-yl]methyl]cyclopentene
CID 162298783
CID 90712882
CID 90712882
1-[(2R,5S)-2,3,4,5-tetramethylcyclopent-3-en-1-yl]ethanone
CID 59930804
2,3,4,5,6-pentamethylcyclohex-2-en-1-one
CID 20756072
(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene
CID 98522466
1,2,3-trimethyl-3a,7a-dihydro-1H-indene
CID 22082629
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-nitrofuran-2-yl)methanone
CID 43463830

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine?
The IUPAC name of N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine (CID 163603149) is N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine?
The canonical SMILES for N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine is CC1=C(C)C(N([O-])O)C(N([O-])O)C(C)C1C.
What is the InChIKey of N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine?
The InChIKey is AFHKOTSILTUJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-5-6(2)8(4)10(12(15)16)9(7(5)3)11(13)14/h5,7,9-10,13,15H,1-4H3/q-2.
What are the key properties of N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine?
N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine has a molecular weight of 230.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroxy(oxido)amino]-3,4,5,6-tetramethylcyclohex-3-en-1-yl]-N-oxidohydroxylamine is sourced from PubChem (CID 163603149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).