4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one

C15H14N2O — CID 168501798

IUPAC4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H14N2O/c1-2-11-8-14(18)17(9-11)10-13-5-3-4-12-6-7-16-15(12)13/h1,3-7,11,16H,8-10H2
InChIKeyVDJDXAJMLPXVDX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.15
Rot. Bonds2

About 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one

4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one (PubChem CID 168501798) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
PubChem CID168501798
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one
SMILESC#CC1CC(=O)N(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C15H14N2O/c1-2-11-8-14(18)17(9-11)10-13-5-3-4-12-6-7-16-15(12)13/h1,3-7,11,16H,8-10H2
InChIKeyVDJDXAJMLPXVDX-UHFFFAOYSA-N
XLogP2.15
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.15
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

1-(1H-indol-7-ylmethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671119
(4R)-1-(1H-indol-7-ylmethyl)-4-propylpyrrolidin-2-one
CID 93009561
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168501779
1-[(2-ethoxyphenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168500560
1-[2-(1H-indol-7-yl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670983
4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one
CID 168501682
4-ethynyl-1-(isoquinolin-1-ylmethyl)pyrrolidin-2-one
CID 168501873
4-ethynyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 168501804
1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
1-[(3,5-difluorophenyl)methyl]-4-ethynylpyrrolidin-2-one
CID 168501805
4-ethynyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 168501340

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one (CID 168501798) is 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one is C#CC1CC(=O)N(Cc2cccc3cc[nH]c23)C1.
What is the InChIKey of 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one?
The InChIKey is VDJDXAJMLPXVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-8-14(18)17(9-11)10-13-5-3-4-12-6-7-16-15(12)13/h1,3-7,11,16H,8-10H2.
What are the key properties of 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one?
4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(1H-indol-7-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168501798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).