1,2-bis(prop-2-enyl)-1H-isoquinoline

C15H17N — CID 15472971

IUPAC1,2-bis(prop-2-enyl)-1H-isoquinoline
SMILESC=CCC1c2ccccc2C=CN1CC=C
InChIInChI=1S/C15H17N/c1-3-7-15-14-9-6-5-8-13(14)10-12-16(15)11-4-2/h3-6,8-10,12,15H,1-2,7,11H2
InChIKeyFUSBTMWTHPOIRU-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.78
Rot. Bonds4

About 1,2-bis(prop-2-enyl)-1H-isoquinoline

1,2-bis(prop-2-enyl)-1H-isoquinoline (PubChem CID 15472971) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-1H-isoquinoline.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-1H-isoquinoline
PubChem CID15472971
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1,2-bis(prop-2-enyl)-1H-isoquinoline
SMILESC=CCC1c2ccccc2C=CN1CC=C
InChIInChI=1S/C15H17N/c1-3-7-15-14-9-6-5-8-13(14)10-12-16(15)11-4-2/h3-6,8-10,12,15H,1-2,7,11H2
InChIKeyFUSBTMWTHPOIRU-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)-1H-isoquinoline?
The IUPAC name of 1,2-bis(prop-2-enyl)-1H-isoquinoline (CID 15472971) is 1,2-bis(prop-2-enyl)-1H-isoquinoline.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-1H-isoquinoline?
The canonical SMILES for 1,2-bis(prop-2-enyl)-1H-isoquinoline is C=CCC1c2ccccc2C=CN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)-1H-isoquinoline?
The InChIKey is FUSBTMWTHPOIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-3-7-15-14-9-6-5-8-13(14)10-12-16(15)11-4-2/h3-6,8-10,12,15H,1-2,7,11H2.
What are the key properties of 1,2-bis(prop-2-enyl)-1H-isoquinoline?
1,2-bis(prop-2-enyl)-1H-isoquinoline has a molecular weight of 211.31 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-1H-isoquinoline is sourced from PubChem (CID 15472971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).