5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline

C18H15N — CID 130291492

IUPAC5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cnccc12
InChIInChI=1S/C18H15N/c1-3-7-14-13(4-2)17-10-11-19-12-18(17)16-9-6-5-8-15(14)16/h3-12H,2H2,1H3/b7-3-
InChIKeyYRZBMNKAVHWMGM-CLTKARDFSA-N
MW245.32 g/mol
LogP5.06
Rot. Bonds2

About 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline

5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline (PubChem CID 130291492) has the molecular formula C18H15N and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline.

Molecular Properties

Compound Name5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
PubChem CID130291492
Molecular FormulaC18H15N
Molecular Weight245.32 g/mol
Exact Mass245.12
IUPAC Name5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
SMILESC=Cc1c(/C=C\C)c2ccccc2c2cnccc12
InChIInChI=1S/C18H15N/c1-3-7-14-13(4-2)17-10-11-19-12-18(17)16-9-6-5-8-15(14)16/h3-12H,2H2,1H3/b7-3-
InChIKeyYRZBMNKAVHWMGM-CLTKARDFSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.32
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline?
The IUPAC name of 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline (CID 130291492) is 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline.
What is the SMILES notation for 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline?
The canonical SMILES for 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline is C=Cc1c(/C=C\C)c2ccccc2c2cnccc12.
What is the InChIKey of 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline?
The InChIKey is YRZBMNKAVHWMGM-CLTKARDFSA-N. The full InChI is InChI=1S/C18H15N/c1-3-7-14-13(4-2)17-10-11-19-12-18(17)16-9-6-5-8-15(14)16/h3-12H,2H2,1H3/b7-3-.
What are the key properties of 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline?
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline has a molecular weight of 245.32 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline is sourced from PubChem (CID 130291492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).