(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one

C11H19NO2 — CID 131409764

IUPAC(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-8(2)11(14)12-6-9(3)10(13)7-12/h5,9-10,13H,4,6-7H2,1-3H3/b8-5-
InChIKeyHYNOAXSNOKDSPX-YVMONPNESA-N
MW197.28 g/mol
LogP1.18
Rot. Bonds2

About (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one

(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one (PubChem CID 131409764) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one
PubChem CID131409764
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CC(C)C(O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-8(2)11(14)12-6-9(3)10(13)7-12/h5,9-10,13H,4,6-7H2,1-3H3/b8-5-
InChIKeyHYNOAXSNOKDSPX-YVMONPNESA-N
XLogP1.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.18
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-hydroxy-4-methylpyrrolidin-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-hydroxyazetidin-1-yl)-2-methylpent-2-en-1-one
CID 63106217
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-oxoacetic acid
CID 131106261
1-(3-amino-5-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 79992618
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
(Z)-1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-methylpent-2-en-1-one
CID 112630556
1-(3-hydroxy-4-methylpyrrolidin-1-yl)prop-2-en-1-one
CID 127008920
(Z)-1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpent-2-en-1-one
CID 80707062
(2R,4R)-4-hydroxy-1-(2-methylpent-2-enoyl)pyrrolidine-2-carboxylic acid
CID 79000788
1-(2,5-dimethylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 77052197
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 131131296
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one (CID 131409764) is (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CC(C)C(O)C1.
What is the InChIKey of (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one?
The InChIKey is HYNOAXSNOKDSPX-YVMONPNESA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-8(2)11(14)12-6-9(3)10(13)7-12/h5,9-10,13H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one?
(Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 131409764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).