(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide

C11H21NO2 — CID 89110565

IUPAC(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide
SMILESCCC(O)C/C=C\C(=O)NCC(C)C
InChIInChI=1S/C11H21NO2/c1-4-10(13)6-5-7-11(14)12-8-9(2)3/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,12,14)/b7-5-
InChIKeyIXMDLGRZIWOCEF-ALCCZGGFSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds6

About (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide

(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide (PubChem CID 89110565) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide.

Molecular Properties

Compound Name(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide
PubChem CID89110565
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide
SMILESCCC(O)C/C=C\C(=O)NCC(C)C
InChIInChI=1S/C11H21NO2/c1-4-10(13)6-5-7-11(14)12-8-9(2)3/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,12,14)/b7-5-
InChIKeyIXMDLGRZIWOCEF-ALCCZGGFSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide?
The IUPAC name of (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide (CID 89110565) is (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide.
What is the SMILES notation for (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide?
The canonical SMILES for (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide is CCC(O)C/C=C\C(=O)NCC(C)C.
What is the InChIKey of (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide?
The InChIKey is IXMDLGRZIWOCEF-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-10(13)6-5-7-11(14)12-8-9(2)3/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,12,14)/b7-5-.
What are the key properties of (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide?
(Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-N-(2-methylpropyl)hept-2-enamide is sourced from PubChem (CID 89110565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).