6-amino-1-hydroxy-5-methylhept-6-en-2-one

C8H15NO2 — CID 142219270

IUPAC6-amino-1-hydroxy-5-methylhept-6-en-2-one
SMILESC=C(N)C(C)CCC(=O)CO
InChIInChI=1S/C8H15NO2/c1-6(7(2)9)3-4-8(11)5-10/h6,10H,2-5,9H2,1H3
InChIKeyWEFYPEPQSLXVIM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.44
Rot. Bonds5

About 6-amino-1-hydroxy-5-methylhept-6-en-2-one

6-amino-1-hydroxy-5-methylhept-6-en-2-one (PubChem CID 142219270) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 6-amino-1-hydroxy-5-methylhept-6-en-2-one.

Molecular Properties

Compound Name6-amino-1-hydroxy-5-methylhept-6-en-2-one
PubChem CID142219270
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name6-amino-1-hydroxy-5-methylhept-6-en-2-one
SMILESC=C(N)C(C)CCC(=O)CO
InChIInChI=1S/C8H15NO2/c1-6(7(2)9)3-4-8(11)5-10/h6,10H,2-5,9H2,1H3
InChIKeyWEFYPEPQSLXVIM-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-hydroxy-5-methylhept-6-en-2-one?
The IUPAC name of 6-amino-1-hydroxy-5-methylhept-6-en-2-one (CID 142219270) is 6-amino-1-hydroxy-5-methylhept-6-en-2-one.
What is the SMILES notation for 6-amino-1-hydroxy-5-methylhept-6-en-2-one?
The canonical SMILES for 6-amino-1-hydroxy-5-methylhept-6-en-2-one is C=C(N)C(C)CCC(=O)CO.
What is the InChIKey of 6-amino-1-hydroxy-5-methylhept-6-en-2-one?
The InChIKey is WEFYPEPQSLXVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(7(2)9)3-4-8(11)5-10/h6,10H,2-5,9H2,1H3.
What are the key properties of 6-amino-1-hydroxy-5-methylhept-6-en-2-one?
6-amino-1-hydroxy-5-methylhept-6-en-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-hydroxy-5-methylhept-6-en-2-one is sourced from PubChem (CID 142219270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).