1-amino-5-hydroxyoctan-4-one

C8H17NO2 — CID 91171191

IUPAC1-amino-5-hydroxyoctan-4-one
SMILESCCCC(O)C(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-2-4-7(10)8(11)5-3-6-9/h7,10H,2-6,9H2,1H3
InChIKeyOUOFGXOMIVYLIP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.46
Rot. Bonds6

About 1-amino-5-hydroxyoctan-4-one

1-amino-5-hydroxyoctan-4-one (PubChem CID 91171191) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-amino-5-hydroxyoctan-4-one.

Molecular Properties

Compound Name1-amino-5-hydroxyoctan-4-one
PubChem CID91171191
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-amino-5-hydroxyoctan-4-one
SMILESCCCC(O)C(=O)CCCN
InChIInChI=1S/C8H17NO2/c1-2-4-7(10)8(11)5-3-6-9/h7,10H,2-6,9H2,1H3
InChIKeyOUOFGXOMIVYLIP-UHFFFAOYSA-N
XLogP0.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-hydroxyoctan-4-one?
The IUPAC name of 1-amino-5-hydroxyoctan-4-one (CID 91171191) is 1-amino-5-hydroxyoctan-4-one.
What is the SMILES notation for 1-amino-5-hydroxyoctan-4-one?
The canonical SMILES for 1-amino-5-hydroxyoctan-4-one is CCCC(O)C(=O)CCCN.
What is the InChIKey of 1-amino-5-hydroxyoctan-4-one?
The InChIKey is OUOFGXOMIVYLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-4-7(10)8(11)5-3-6-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 1-amino-5-hydroxyoctan-4-one?
1-amino-5-hydroxyoctan-4-one has a molecular weight of 159.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-hydroxyoctan-4-one is sourced from PubChem (CID 91171191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).