1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one

C18H13NO2 — CID 168502232

IUPAC1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H13NO2/c1-2-12-9-18(20)19(11-12)13-7-8-17-15(10-13)14-5-3-4-6-16(14)21-17/h1,3-8,10,12H,9,11H2
InChIKeyMTKIATCFCYWDCP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.57
Rot. Bonds1

About 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one

1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one (PubChem CID 168502232) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
PubChem CID168502232
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C18H13NO2/c1-2-12-9-18(20)19(11-12)13-7-8-17-15(10-13)14-5-3-4-6-16(14)21-17/h1,3-8,10,12H,9,11H2
InChIKeyMTKIATCFCYWDCP-UHFFFAOYSA-N
XLogP3.57
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.57
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

1-dibenzofuran-2-yl-4-sulfanylpyrrolidin-2-one
CID 168709956
4-(aminomethyl)-1-dibenzofuran-2-ylpyrrolidin-2-one
CID 168660701
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
3-(4-ethynyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168502803
4-(4-ethynyl-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168501074
S-(1-dibenzofuran-3-yl-5-oxopyrrolidin-3-yl) ethanethioate
CID 168706626
4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168501334
2-[3-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]acetic acid
CID 168502817
1-(6-bromo-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502280
4-ethynyl-1-(2-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168502435
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one (CID 168502232) is 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one?
The InChIKey is MTKIATCFCYWDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-2-12-9-18(20)19(11-12)13-7-8-17-15(10-13)14-5-3-4-6-16(14)21-17/h1,3-8,10,12H,9,11H2.
What are the key properties of 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one?
1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one has a molecular weight of 275.31 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168502232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).