1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one

C8H13NO2 — CID 19376150

IUPAC1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1O
InChIInChI=1S/C8H13NO2/c1-6(2)8(11)9-5-3-4-7(9)10/h7,10H,1,3-5H2,2H3
InChIKeyVKRPYLCSAIGTST-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.50
Rot. Bonds1

About 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one

1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one (PubChem CID 19376150) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
PubChem CID19376150
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCCC1O
InChIInChI=1S/C8H13NO2/c1-6(2)8(11)9-5-3-4-7(9)10/h7,10H,1,3-5H2,2H3
InChIKeyVKRPYLCSAIGTST-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-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

5-Hydroxy-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 134865041
1-(2-Hydroxypyrrolidin-1-yl)prop-2-en-1-one
CID 13877316
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N,N-bis(4-hydroxybutyl)-2-methylprop-2-enamide
CID 20519153
2-Hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-3-one
CID 21269438
N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
CID 23297267
5-Hydroxy-1-(2-methylprop-2-enoyl)pyrrolidin-2-one
CID 58165513
N-(3-hydroxypropyl)-N,2-dimethylprop-2-enamide
CID 60026163
N-(4-hydroxybutyl)-N,2-dimethylprop-2-enamide
CID 87184685
N-ethyl-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 87219533
N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide
CID 89442402
1-(3-Hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one
CID 91486972

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one (CID 19376150) is 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CCCC1O.
What is the InChIKey of 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one?
The InChIKey is VKRPYLCSAIGTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(2)8(11)9-5-3-4-7(9)10/h7,10H,1,3-5H2,2H3.
What are the key properties of 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one?
1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyrrolidin-1-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 19376150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).