3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane

C10H20N2O2 — CID 20683177

IUPAC3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
SMILESCC1C2C([NH+]1[O-])C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H20N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,11,14H,1-5H3
InChIKeyJTSBQKHJTBGWDH-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.02
Rot. Bonds

About 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane

3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane (PubChem CID 20683177) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
PubChem CID20683177
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
SMILESCC1C2C([NH+]1[O-])C(C)(C)N(O)C2(C)C
InChIInChI=1S/C10H20N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,11,14H,1-5H3
InChIKeyJTSBQKHJTBGWDH-UHFFFAOYSA-N
XLogP0.02
TPSA50.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4,4,7-Pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683174
3-Hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683176
CID 59967306
CID 59967306
CID 59967307
CID 59967307
3,6-Dihydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 90904449
5-Propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine
CID 164943246
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3,6-diazabicyclo[3.2.0]heptane
CID 20683178
CID 59967308
CID 59967308

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane?
The IUPAC name of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane (CID 20683177) is 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane?
The canonical SMILES for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane is CC1C2C([NH+]1[O-])C(C)(C)N(O)C2(C)C.
What is the InChIKey of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane?
The InChIKey is JTSBQKHJTBGWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6-7-8(11(6)13)10(4,5)12(14)9(7,2)3/h6-8,11,14H,1-5H3.
What are the key properties of 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane?
3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane has a molecular weight of 200.28 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane is sourced from PubChem (CID 20683177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).