(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one

C11H21NO2 — CID 10035659

IUPAC(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one
SMILESC/C(=C/C(=O)CCC(C)O)NC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-9(3)7-11(14)6-5-10(4)13/h7-8,10,12-13H,5-6H2,1-4H3/b9-7-
InChIKeyHLJHNWOZIMIHKO-CLFYSBASSA-N
MW199.29 g/mol
LogP1.62
Rot. Bonds6

About (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one

(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one (PubChem CID 10035659) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one.

Molecular Properties

Compound Name(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one
PubChem CID10035659
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one
SMILESC/C(=C/C(=O)CCC(C)O)NC(C)C
InChIInChI=1S/C11H21NO2/c1-8(2)12-9(3)7-11(14)6-5-10(4)13/h7-8,10,12-13H,5-6H2,1-4H3/b9-7-
InChIKeyHLJHNWOZIMIHKO-CLFYSBASSA-N
XLogP1.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.62
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 (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one?
The IUPAC name of (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one (CID 10035659) is (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one.
What is the SMILES notation for (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one?
The canonical SMILES for (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one is C/C(=C/C(=O)CCC(C)O)NC(C)C.
What is the InChIKey of (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one?
The InChIKey is HLJHNWOZIMIHKO-CLFYSBASSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-9(3)7-11(14)6-5-10(4)13/h7-8,10,12-13H,5-6H2,1-4H3/b9-7-.
What are the key properties of (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one?
(Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one has a molecular weight of 199.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-hydroxy-2-(propan-2-ylamino)oct-2-en-4-one is sourced from PubChem (CID 10035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).