4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one

C15H14N2O — CID 168501334

IUPAC4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc3[nH]c(C)cc3c2)C1
InChIInChI=1S/C15H14N2O/c1-3-11-7-15(18)17(9-11)13-4-5-14-12(8-13)6-10(2)16-14/h1,4-6,8,11,16H,7,9H2,2H3
InChIKeySCJHIUCRTYJUJQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.46
Rot. Bonds1

About 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one

4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one (PubChem CID 168501334) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
PubChem CID168501334
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccc3[nH]c(C)cc3c2)C1
InChIInChI=1S/C15H14N2O/c1-3-11-7-15(18)17(9-11)13-4-5-14-12(8-13)6-10(2)16-14/h1,4-6,8,11,16H,7,9H2,2H3
InChIKeySCJHIUCRTYJUJQ-UHFFFAOYSA-N
XLogP2.46
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one
CID 168699934
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
4-(4-ethynyl-2-oxopyrrolidin-1-yl)-2-methylbenzonitrile
CID 168501074
4-ethynyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 168500928
1-(3-bromo-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502147
4-ethynyl-1-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 168501082
1-(3-chloro-5-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501294
1-(3,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502729
3-(4-ethynyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168502803
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
1-dibenzofuran-2-yl-4-ethynylpyrrolidin-2-one
CID 168502232

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one (CID 168501334) is 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one is C#CC1CC(=O)N(c2ccc3[nH]c(C)cc3c2)C1.
What is the InChIKey of 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
The InChIKey is SCJHIUCRTYJUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-11-7-15(18)17(9-11)13-4-5-14-12(8-13)6-10(2)16-14/h1,4-6,8,11,16H,7,9H2,2H3.
What are the key properties of 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one?
4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(2-methyl-1H-indol-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168501334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).