3-ethenyl-1,10-phenanthroline

C14H10N2 — CID 58813469

IUPAC3-ethenyl-1,10-phenanthroline
SMILESC=Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C14H10N2/c1-2-10-8-12-6-5-11-4-3-7-15-13(11)14(12)16-9-10/h2-9H,1H2
InChIKeyHOTBNSHVUMLZOW-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.43
Rot. Bonds1

About 3-ethenyl-1,10-phenanthroline

3-ethenyl-1,10-phenanthroline (PubChem CID 58813469) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-ethenyl-1,10-phenanthroline.

Molecular Properties

Compound Name3-ethenyl-1,10-phenanthroline
PubChem CID58813469
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name3-ethenyl-1,10-phenanthroline
SMILESC=Cc1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C14H10N2/c1-2-10-8-12-6-5-11-4-3-7-15-13(11)14(12)16-9-10/h2-9H,1H2
InChIKeyHOTBNSHVUMLZOW-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,10-phenanthroline?
The IUPAC name of 3-ethenyl-1,10-phenanthroline (CID 58813469) is 3-ethenyl-1,10-phenanthroline.
What is the SMILES notation for 3-ethenyl-1,10-phenanthroline?
The canonical SMILES for 3-ethenyl-1,10-phenanthroline is C=Cc1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 3-ethenyl-1,10-phenanthroline?
The InChIKey is HOTBNSHVUMLZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c1-2-10-8-12-6-5-11-4-3-7-15-13(11)14(12)16-9-10/h2-9H,1H2.
What are the key properties of 3-ethenyl-1,10-phenanthroline?
3-ethenyl-1,10-phenanthroline has a molecular weight of 206.25 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,10-phenanthroline is sourced from PubChem (CID 58813469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).