N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide

C11H18N2O — CID 19716

IUPACN-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
InChIKeyHWYHDWGGACRVEH-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.56
Rot. Bonds2

About N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide

N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide (PubChem CID 19716) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
PubChem CID19716
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)CC#CCN1CCCC1
InChIInChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
InChIKeyHWYHDWGGACRVEH-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.56
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 N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The IUPAC name of N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide (CID 19716) is N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The canonical SMILES for N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide is CC(=O)N(C)CC#CCN1CCCC1.
What is the InChIKey of N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
The InChIKey is HWYHDWGGACRVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide?
N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide has a molecular weight of 194.28 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 19716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).