5-amino-7-hydroxyheptan-2-one

C7H15NO2 — CID 175205558

IUPAC5-amino-7-hydroxyheptan-2-one
SMILESCC(=O)CCC(N)CCO
InChIInChI=1S/C7H15NO2/c1-6(10)2-3-7(8)4-5-9/h7,9H,2-5,8H2,1H3
InChIKeyIXLSVLHXDIETIG-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.07
Rot. Bonds5

About 5-amino-7-hydroxyheptan-2-one

5-amino-7-hydroxyheptan-2-one (PubChem CID 175205558) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 5-amino-7-hydroxyheptan-2-one.

Molecular Properties

Compound Name5-amino-7-hydroxyheptan-2-one
PubChem CID175205558
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name5-amino-7-hydroxyheptan-2-one
SMILESCC(=O)CCC(N)CCO
InChIInChI=1S/C7H15NO2/c1-6(10)2-3-7(8)4-5-9/h7,9H,2-5,8H2,1H3
InChIKeyIXLSVLHXDIETIG-UHFFFAOYSA-N
XLogP0.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5,8,10-triaminodecan-2-one
CID 15920060
4-aminooctane-2,7-dione
CID 89306348
5,9-diaminononan-2-one
CID 175346024
(3R)-3-aminoheptane-2,6-dione
CID 154592232
7-hydroxy-5-(hydroxymethylsulfanyl)heptan-2-one
CID 158115813
3-aminoheptane-2,6-dione;propane
CID 155584486
(2S)-2-amino-5-oxohexanoyl bromide
CID 142977987
5-amino-6-phenylhexan-2-one
CID 90094782
3,5-diaminopentan-1-ol;hydrobromide
CID 175509083
(3R)-3-amino-5-methylsulfinylpentan-1-ol
CID 163568713
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
3-amino-5-hydroxypentanamide
CID 154064496

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-hydroxyheptan-2-one?
The IUPAC name of 5-amino-7-hydroxyheptan-2-one (CID 175205558) is 5-amino-7-hydroxyheptan-2-one.
What is the SMILES notation for 5-amino-7-hydroxyheptan-2-one?
The canonical SMILES for 5-amino-7-hydroxyheptan-2-one is CC(=O)CCC(N)CCO.
What is the InChIKey of 5-amino-7-hydroxyheptan-2-one?
The InChIKey is IXLSVLHXDIETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(10)2-3-7(8)4-5-9/h7,9H,2-5,8H2,1H3.
What are the key properties of 5-amino-7-hydroxyheptan-2-one?
5-amino-7-hydroxyheptan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-hydroxyheptan-2-one is sourced from PubChem (CID 175205558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).