4-pyrrolidin-1-ylbut-2-ynamide

C8H12N2O — CID 154108122

IUPAC4-pyrrolidin-1-ylbut-2-ynamide
SMILESNC(=O)C#CCN1CCCC1
InChIInChI=1S/C8H12N2O/c9-8(11)4-3-7-10-5-1-2-6-10/h1-2,5-7H2,(H2,9,11)
InChIKeyHUHNLZVKPGDVTJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.43
Rot. Bonds1

About 4-pyrrolidin-1-ylbut-2-ynamide

4-pyrrolidin-1-ylbut-2-ynamide (PubChem CID 154108122) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbut-2-ynamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbut-2-ynamide
PubChem CID154108122
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-pyrrolidin-1-ylbut-2-ynamide
SMILESNC(=O)C#CCN1CCCC1
InChIInChI=1S/C8H12N2O/c9-8(11)4-3-7-10-5-1-2-6-10/h1-2,5-7H2,(H2,9,11)
InChIKeyHUHNLZVKPGDVTJ-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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 4-pyrrolidin-1-ylbut-2-ynamide?
The IUPAC name of 4-pyrrolidin-1-ylbut-2-ynamide (CID 154108122) is 4-pyrrolidin-1-ylbut-2-ynamide.
What is the SMILES notation for 4-pyrrolidin-1-ylbut-2-ynamide?
The canonical SMILES for 4-pyrrolidin-1-ylbut-2-ynamide is NC(=O)C#CCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbut-2-ynamide?
The InChIKey is HUHNLZVKPGDVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)4-3-7-10-5-1-2-6-10/h1-2,5-7H2,(H2,9,11).
What are the key properties of 4-pyrrolidin-1-ylbut-2-ynamide?
4-pyrrolidin-1-ylbut-2-ynamide has a molecular weight of 152.20 g/mol, XLogP of -0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbut-2-ynamide is sourced from PubChem (CID 154108122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).