N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide

C13H22N2O — CID 59304328

IUPACN-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)(C)C#CCNC(=O)CN1CCCC1
InChIInChI=1S/C13H22N2O/c1-13(2,3)7-6-8-14-12(16)11-15-9-4-5-10-15/h4-5,8-11H2,1-3H3,(H,14,16)
InChIKeyCZGQKGMPDZHEAP-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.25
Rot. Bonds3

About N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide

N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 59304328) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide
PubChem CID59304328
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide
SMILESCC(C)(C)C#CCNC(=O)CN1CCCC1
InChIInChI=1S/C13H22N2O/c1-13(2,3)7-6-8-14-12(16)11-15-9-4-5-10-15/h4-5,8-11H2,1-3H3,(H,14,16)
InChIKeyCZGQKGMPDZHEAP-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.25
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 N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide (CID 59304328) is N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide is CC(C)(C)C#CCNC(=O)CN1CCCC1.
What is the InChIKey of N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is CZGQKGMPDZHEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)7-6-8-14-12(16)11-15-9-4-5-10-15/h4-5,8-11H2,1-3H3,(H,14,16).
What are the key properties of N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide?
N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 222.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-2-ynyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 59304328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).