azane;5-hydroxy-2-methylhex-1-en-3-one

C7H15NO2 — CID 174321351

IUPACazane;5-hydroxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)O.N
InChIInChI=1S/C7H12O2.H3N/c1-5(2)7(9)4-6(3)8;/h6,8H,1,4H2,2-3H3;1H3
InChIKeyUWXCEVLIOXFLND-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.06
Rot. Bonds3

About azane;5-hydroxy-2-methylhex-1-en-3-one

azane;5-hydroxy-2-methylhex-1-en-3-one (PubChem CID 174321351) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is azane;5-hydroxy-2-methylhex-1-en-3-one.

Molecular Properties

Compound Nameazane;5-hydroxy-2-methylhex-1-en-3-one
PubChem CID174321351
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Nameazane;5-hydroxy-2-methylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)O.N
InChIInChI=1S/C7H12O2.H3N/c1-5(2)7(9)4-6(3)8;/h6,8H,1,4H2,2-3H3;1H3
InChIKeyUWXCEVLIOXFLND-UHFFFAOYSA-N
XLogP1.06
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;5-hydroxy-2-methylhex-1-en-3-one?
The IUPAC name of azane;5-hydroxy-2-methylhex-1-en-3-one (CID 174321351) is azane;5-hydroxy-2-methylhex-1-en-3-one.
What is the SMILES notation for azane;5-hydroxy-2-methylhex-1-en-3-one?
The canonical SMILES for azane;5-hydroxy-2-methylhex-1-en-3-one is C=C(C)C(=O)CC(C)O.N.
What is the InChIKey of azane;5-hydroxy-2-methylhex-1-en-3-one?
The InChIKey is UWXCEVLIOXFLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.H3N/c1-5(2)7(9)4-6(3)8;/h6,8H,1,4H2,2-3H3;1H3.
What are the key properties of azane;5-hydroxy-2-methylhex-1-en-3-one?
azane;5-hydroxy-2-methylhex-1-en-3-one has a molecular weight of 145.20 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;5-hydroxy-2-methylhex-1-en-3-one is sourced from PubChem (CID 174321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).