1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one

C10H17NO2 — CID 79191449

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c12-5-1-2-10(13)11-7-8-3-4-9(11)6-8/h8-9,12H,1-7H2
InChIKeyRKDSVOFSKCNSPT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.77
Rot. Bonds3

About 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one

1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one (PubChem CID 79191449) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one
PubChem CID79191449
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one
SMILESO=C(CCCO)N1CC2CCC1C2
InChIInChI=1S/C10H17NO2/c12-5-1-2-10(13)11-7-8-3-4-9(11)6-8/h8-9,12H,1-7H2
InChIKeyRKDSVOFSKCNSPT-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one (CID 79191449) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one is O=C(CCCO)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one?
The InChIKey is RKDSVOFSKCNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-5-1-2-10(13)11-7-8-3-4-9(11)6-8/h8-9,12H,1-7H2.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 79191449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).