1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one

C12H12N2O — CID 122242026

IUPAC1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC#Cc1ccccn1
InChIInChI=1S/C12H12N2O/c15-12-7-4-10-14(12)9-3-6-11-5-1-2-8-13-11/h1-2,5,8H,4,7,9-10H2
InChIKeyTZUXKFBIQLHLDK-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.06
Rot. Bonds1

About 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one

1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one (PubChem CID 122242026) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one
PubChem CID122242026
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one
SMILESO=C1CCCN1CC#Cc1ccccn1
InChIInChI=1S/C12H12N2O/c15-12-7-4-10-14(12)9-3-6-11-5-1-2-8-13-11/h1-2,5,8H,4,7,9-10H2
InChIKeyTZUXKFBIQLHLDK-UHFFFAOYSA-N
XLogP1.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one?
The IUPAC name of 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one (CID 122242026) is 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one?
The canonical SMILES for 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one is O=C1CCCN1CC#Cc1ccccn1.
What is the InChIKey of 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one?
The InChIKey is TZUXKFBIQLHLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-7-4-10-14(12)9-3-6-11-5-1-2-8-13-11/h1-2,5,8H,4,7,9-10H2.
What are the key properties of 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one?
1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-ylprop-2-ynyl)pyrrolidin-2-one is sourced from PubChem (CID 122242026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).