5-amino-5-hydroxyhex-1-en-3-one

C6H11NO2 — CID 87129964

IUPAC5-amino-5-hydroxyhex-1-en-3-one
SMILESC=CC(=O)CC(C)(N)O
InChIInChI=1S/C6H11NO2/c1-3-5(8)4-6(2,7)9/h3,9H,1,4,7H2,2H3
InChIKeyWNXAHELXIOZXLM-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.20
Rot. Bonds3

About 5-amino-5-hydroxyhex-1-en-3-one

5-amino-5-hydroxyhex-1-en-3-one (PubChem CID 87129964) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-amino-5-hydroxyhex-1-en-3-one.

Molecular Properties

Compound Name5-amino-5-hydroxyhex-1-en-3-one
PubChem CID87129964
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-amino-5-hydroxyhex-1-en-3-one
SMILESC=CC(=O)CC(C)(N)O
InChIInChI=1S/C6H11NO2/c1-3-5(8)4-6(2,7)9/h3,9H,1,4,7H2,2H3
InChIKeyWNXAHELXIOZXLM-UHFFFAOYSA-N
XLogP-0.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,5,5-trifluoropent-1-en-3-one
CID 12622108
5,5,5-trimethoxypent-1-en-3-one
CID 150427628
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
5,5-bis(2-aminoethoxy)nona-1,8-diene-3,7-dione
CID 88599703
5,5-dimethyl-6-(2,4,4-trimethylpentan-2-yloxy)hex-1-en-3-one
CID 154937715
5,5,6,6,7,7,7-heptafluorohept-1-en-3-one
CID 101061055
3-hydroxy-3-methyl-4-oxohex-5-enoic acid
CID 174505958
5,6,6-trimethylhept-1-en-3-one
CID 114982432
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
5-(tert-butylamino)pent-1-en-3-one
CID 116557902
(3-amino-3-hydroxy-2-methylpentan-2-yl) prop-2-enoate
CID 87534109
ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
CID 90238503

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-hydroxyhex-1-en-3-one?
The IUPAC name of 5-amino-5-hydroxyhex-1-en-3-one (CID 87129964) is 5-amino-5-hydroxyhex-1-en-3-one.
What is the SMILES notation for 5-amino-5-hydroxyhex-1-en-3-one?
The canonical SMILES for 5-amino-5-hydroxyhex-1-en-3-one is C=CC(=O)CC(C)(N)O.
What is the InChIKey of 5-amino-5-hydroxyhex-1-en-3-one?
The InChIKey is WNXAHELXIOZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(8)4-6(2,7)9/h3,9H,1,4,7H2,2H3.
What are the key properties of 5-amino-5-hydroxyhex-1-en-3-one?
5-amino-5-hydroxyhex-1-en-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-hydroxyhex-1-en-3-one is sourced from PubChem (CID 87129964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).