N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide

C10H15NO3 — CID 106102911

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H15NO3/c1-3-4-9(12)11-7-10(13)5-6-14-8(10)2/h8,13H,5-7H2,1-2H3,(H,11,12)
InChIKeyREHAUJUQIUFMDY-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.33
Rot. Bonds2

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide (PubChem CID 106102911) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
PubChem CID106102911
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(O)CCOC1C
InChIInChI=1S/C10H15NO3/c1-3-4-9(12)11-7-10(13)5-6-14-8(10)2/h8,13H,5-7H2,1-2H3,(H,11,12)
InChIKeyREHAUJUQIUFMDY-UHFFFAOYSA-N
XLogP-0.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide 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

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,2-dimethylpropanamide
CID 106101650
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
2,2,3,3,3-pentafluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 114143734
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(methylamino)propanamide
CID 106101711
(E)-3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]prop-2-enamide
CID 106101730
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide (CID 106102911) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide is CC#CC(=O)NCC1(O)CCOC1C.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide?
The InChIKey is REHAUJUQIUFMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-9(12)11-7-10(13)5-6-14-8(10)2/h8,13H,5-7H2,1-2H3,(H,11,12).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide has a molecular weight of 197.23 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]but-2-ynamide is sourced from PubChem (CID 106102911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).