1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone

C15H19NO — CID 45102172

IUPAC1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=CCCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19NO/c1-11(17)14-5-4-6-15(14)12-7-9-13(10-8-12)16(2)3/h5,7-10,15H,4,6H2,1-3H3
InChIKeyVPJYQAQTNKHIQC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.15
Rot. Bonds3

About 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone

1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone (PubChem CID 45102172) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone
PubChem CID45102172
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone
SMILESCC(=O)C1=CCCC1c1ccc(N(C)C)cc1
InChIInChI=1S/C15H19NO/c1-11(17)14-5-4-6-15(14)12-7-9-13(10-8-12)16(2)3/h5,7-10,15H,4,6H2,1-3H3
InChIKeyVPJYQAQTNKHIQC-UHFFFAOYSA-N
XLogP3.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone?
The IUPAC name of 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone (CID 45102172) is 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone is CC(=O)C1=CCCC1c1ccc(N(C)C)cc1.
What is the InChIKey of 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone?
The InChIKey is VPJYQAQTNKHIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(17)14-5-4-6-15(14)12-7-9-13(10-8-12)16(2)3/h5,7-10,15H,4,6H2,1-3H3.
What are the key properties of 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone?
1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone has a molecular weight of 229.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(dimethylamino)phenyl]cyclopenten-1-yl]ethanone is sourced from PubChem (CID 45102172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).