4-amino-1-hydroxybicyclo[2.2.2]octan-2-one

C8H13NO2 — CID 150007789

IUPAC4-amino-1-hydroxybicyclo[2.2.2]octan-2-one
SMILESNC12CCC(O)(CC1)C(=O)C2
InChIInChI=1S/C8H13NO2/c9-7-1-3-8(11,4-2-7)6(10)5-7/h11H,1-5,9H2
InChIKeyDCQRRNPOUOHWSY-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.04
Rot. Bonds

About 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one

4-amino-1-hydroxybicyclo[2.2.2]octan-2-one (PubChem CID 150007789) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name4-amino-1-hydroxybicyclo[2.2.2]octan-2-one
PubChem CID150007789
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-amino-1-hydroxybicyclo[2.2.2]octan-2-one
SMILESNC12CCC(O)(CC1)C(=O)C2
InChIInChI=1S/C8H13NO2/c9-7-1-3-8(11,4-2-7)6(10)5-7/h11H,1-5,9H2
InChIKeyDCQRRNPOUOHWSY-UHFFFAOYSA-N
XLogP-0.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one?
The IUPAC name of 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one (CID 150007789) is 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one.
What is the SMILES notation for 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one?
The canonical SMILES for 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one is NC12CCC(O)(CC1)C(=O)C2.
What is the InChIKey of 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one?
The InChIKey is DCQRRNPOUOHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-7-1-3-8(11,4-2-7)6(10)5-7/h11H,1-5,9H2.
What are the key properties of 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one?
4-amino-1-hydroxybicyclo[2.2.2]octan-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-hydroxybicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 150007789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).