2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide

C15H18N2O — CID 78983867

IUPAC2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-2-9-16-15(18)12-17-10-8-14(11-17)13-6-4-3-5-7-13/h1,3-7,14H,8-12H2,(H,16,18)
InChIKeyWWQNNEJKWVQNFB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.23
Rot. Bonds4

About 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide

2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 78983867) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
PubChem CID78983867
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C15H18N2O/c1-2-9-16-15(18)12-17-10-8-14(11-17)13-6-4-3-5-7-13/h1,3-7,14H,8-12H2,(H,16,18)
InChIKeyWWQNNEJKWVQNFB-UHFFFAOYSA-N
XLogP1.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 62133590
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
2-(4-benzoylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 51322931
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
N-[2-(2-methylphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95333668
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
N-[(1R)-1-cyclopropylethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95321250
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
2-(1,3-dihydroisoindol-2-yl)-N-prop-2-ynylacetamide
CID 78946000
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide (CID 78983867) is 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is WWQNNEJKWVQNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-9-16-15(18)12-17-10-8-14(11-17)13-6-4-3-5-7-13/h1,3-7,14H,8-12H2,(H,16,18).
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide?
2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 242.32 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-N-prop-2-ynylacetamide is sourced from PubChem (CID 78983867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).