(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one

C9H15NO2 — CID 63106217

IUPAC(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CC(O)C1
InChIInChI=1S/C9H15NO2/c1-3-4-7(2)9(12)10-5-8(11)6-10/h4,8,11H,3,5-6H2,1-2H3/b7-4-
InChIKeyDHNQWZIDFOMWOO-DAXSKMNVSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds2

About (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one

(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one (PubChem CID 63106217) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
PubChem CID63106217
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CC(O)C1
InChIInChI=1S/C9H15NO2/c1-3-4-7(2)9(12)10-5-8(11)6-10/h4,8,11H,3,5-6H2,1-2H3/b7-4-
InChIKeyDHNQWZIDFOMWOO-DAXSKMNVSA-N
XLogP0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one
CID 131409764
1-(4-acetylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 71897559
(Z)-1-(3-aminopiperidin-1-yl)-2-methylpent-2-en-1-one
CID 82234988
1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
CID 95154056
(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
CID 79000788
(Z)-1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-methylpent-2-en-1-one
CID 112630556
(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 80707062
ethyl 1-[(E)-2-methylpent-2-enoyl]piperidine-3-carboxylate
CID 43424005
N-[(3R)-1-[(Z)-2-methylpent-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 95150282
(Z)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpent-2-en-1-one
CID 107406314
3-fluoro-1-[(Z)-2-methylpent-2-enoyl]pyrrolidine-3-carboxylic acid
CID 115731688

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one (CID 63106217) is (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CC(O)C1.
What is the InChIKey of (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one?
The InChIKey is DHNQWZIDFOMWOO-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-4-7(2)9(12)10-5-8(11)6-10/h4,8,11H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one?
(Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 63106217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).