(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide

C9H16N2O2 — CID 122511765

IUPAC(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide
SMILESCC(C)(/C=C/C(N)=O)N1CC(O)C1
InChIInChI=1S/C9H16N2O2/c1-9(2,4-3-8(10)13)11-5-7(12)6-11/h3-4,7,12H,5-6H2,1-2H3,(H2,10,13)/b4-3+
InChIKeyFHVXNLVVCDBEET-ONEGZZNKSA-N
MW184.24 g/mol
LogP-0.52
Rot. Bonds3

About (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide

(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide (PubChem CID 122511765) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide
PubChem CID122511765
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide
SMILESCC(C)(/C=C/C(N)=O)N1CC(O)C1
InChIInChI=1S/C9H16N2O2/c1-9(2,4-3-8(10)13)11-5-7(12)6-11/h3-4,7,12H,5-6H2,1-2H3,(H2,10,13)/b4-3+
InChIKeyFHVXNLVVCDBEET-ONEGZZNKSA-N
XLogP-0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.52
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 (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide?
The IUPAC name of (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide (CID 122511765) is (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide is CC(C)(/C=C/C(N)=O)N1CC(O)C1.
What is the InChIKey of (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide?
The InChIKey is FHVXNLVVCDBEET-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,4-3-8(10)13)11-5-7(12)6-11/h3-4,7,12H,5-6H2,1-2H3,(H2,10,13)/b4-3+.
What are the key properties of (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide?
(E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-hydroxyazetidin-1-yl)-4-methylpent-2-enamide is sourced from PubChem (CID 122511765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).