4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one

C11H15NO2 — CID 168500421

IUPAC4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC2(C)COC2)C1
InChIInChI=1S/C11H15NO2/c1-3-9-4-10(13)12(5-9)6-11(2)7-14-8-11/h1,9H,4-8H2,2H3
InChIKeyZCIFGCBDXFWOKZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.50
Rot. Bonds2

About 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one

4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one (PubChem CID 168500421) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
PubChem CID168500421
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CC2(C)COC2)C1
InChIInChI=1S/C11H15NO2/c1-3-9-4-10(13)12(5-9)6-11(2)7-14-8-11/h1,9H,4-8H2,2H3
InChIKeyZCIFGCBDXFWOKZ-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168659236
4-ethynyl-1-[(1-hydroxycyclobutyl)methyl]pyrrolidin-2-one
CID 168501543
1-(cyclopropylmethyl)-4-ethynylpyrrolidin-2-one
CID 168501550
1-(2,2-dimethoxyethyl)-4-ethynylpyrrolidin-2-one
CID 168500673
2-(4-ethynyl-2-oxopyrrolidin-1-yl)-N,N-dimethylacetamide
CID 168500605
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
4-ethynyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168501595
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340
1-[3-(diethylamino)propyl]-4-ethynylpyrrolidin-2-one
CID 168500476
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
4-ethynyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 168501534

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one (CID 168500421) is 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one is C#CC1CC(=O)N(CC2(C)COC2)C1.
What is the InChIKey of 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is ZCIFGCBDXFWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-9-4-10(13)12(5-9)6-11(2)7-14-8-11/h1,9H,4-8H2,2H3.
What are the key properties of 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168500421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).