N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide

C15H14N2O — CID 46407605

IUPACN-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESC#CCNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H14N2O/c1-2-9-16-15(18)12-13-5-7-14(8-6-13)17-10-3-4-11-17/h1,3-8,10-11H,9,12H2,(H,16,18)
InChIKeyYSBOWSBBUZAYAS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.77
Rot. Bonds4

About N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide

N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 46407605) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID46407605
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESC#CCNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C15H14N2O/c1-2-9-16-15(18)12-13-5-7-14(8-6-13)17-10-3-4-11-17/h1,3-8,10-11H,9,12H2,(H,16,18)
InChIKeyYSBOWSBBUZAYAS-UHFFFAOYSA-N
XLogP1.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.77
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-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide (CID 46407605) is N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide is C#CCNC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is YSBOWSBBUZAYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-9-16-15(18)12-13-5-7-14(8-6-13)17-10-3-4-11-17/h1,3-8,10-11H,9,12H2,(H,16,18).
What are the key properties of N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide?
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 46407605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).