azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene

C17H15N — CID 175131131

IUPACazane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene
SMILESC1#CC(c2ccccc2)(c2ccccc2)C=C1.N
InChIInChI=1S/C17H12.H3N/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-7,9-13H;1H3
InChIKeyJRNIYFHUGMTQSV-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.71
Rot. Bonds2

About azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene

azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene (PubChem CID 175131131) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene.

Molecular Properties

Compound Nameazane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene
PubChem CID175131131
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Nameazane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene
SMILESC1#CC(c2ccccc2)(c2ccccc2)C=C1.N
InChIInChI=1S/C17H12.H3N/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-7,9-13H;1H3
InChIKeyJRNIYFHUGMTQSV-UHFFFAOYSA-N
XLogP3.71
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene?
The IUPAC name of azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene (CID 175131131) is azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene.
What is the SMILES notation for azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene?
The canonical SMILES for azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene is C1#CC(c2ccccc2)(c2ccccc2)C=C1.N.
What is the InChIKey of azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene?
The InChIKey is JRNIYFHUGMTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.H3N/c1-3-9-15(10-4-1)17(13-7-8-14-17)16-11-5-2-6-12-16;/h1-7,9-13H;1H3.
What are the key properties of azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene?
azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene has a molecular weight of 233.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(1-phenylcyclopent-2-en-4-yn-1-yl)benzene is sourced from PubChem (CID 175131131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).