1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one

C13H14N2O2 — CID 102821869

IUPAC1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(C#CCCO)ccn1
InChIInChI=1S/C13H14N2O2/c16-9-2-1-4-11-6-7-14-12(10-11)15-8-3-5-13(15)17/h6-7,10,16H,2-3,5,8-9H2
InChIKeyRSKPGDRPTJCPFO-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.94
Rot. Bonds2

About 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one

1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one (PubChem CID 102821869) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one
PubChem CID102821869
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cc(C#CCCO)ccn1
InChIInChI=1S/C13H14N2O2/c16-9-2-1-4-11-6-7-14-12(10-11)15-8-3-5-13(15)17/h6-7,10,16H,2-3,5,8-9H2
InChIKeyRSKPGDRPTJCPFO-UHFFFAOYSA-N
XLogP0.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1,2,4-triazolidine-3,5-dione
CID 107409865
1-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyrrolidin-2-one
CID 60813009
3-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 102821873
1-[2-ethyl-4-(4-hydroxybut-1-ynyl)phenyl]piperidin-2-one
CID 81287334
1-[2-(4-hydroxybut-1-ynyl)phenyl]pyrrolidin-2-one
CID 60813162
1-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]pyrrolidin-2-one
CID 62909411
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]cyclopentanecarboxamide
CID 102821245
1-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]piperidin-2-one
CID 54922933
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102821340
4,4,4-trifluoro-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821162
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one (CID 102821869) is 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1cc(C#CCCO)ccn1.
What is the InChIKey of 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one?
The InChIKey is RSKPGDRPTJCPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-9-2-1-4-11-6-7-14-12(10-11)15-8-3-5-13(15)17/h6-7,10,16H,2-3,5,8-9H2.
What are the key properties of 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one?
1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 230.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 102821869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).