3-methyl-1-prop-1-enylisoquinoline

C13H13N — CID 131885557

IUPAC3-methyl-1-prop-1-enylisoquinoline
SMILESCC=Cc1nc(C)cc2ccccc12
InChIInChI=1S/C13H13N/c1-3-6-13-12-8-5-4-7-11(12)9-10(2)14-13/h3-9H,1-2H3
InChIKeyANISYCRJNMJVTK-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.58
Rot. Bonds1

About 3-methyl-1-prop-1-enylisoquinoline

3-methyl-1-prop-1-enylisoquinoline (PubChem CID 131885557) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methyl-1-prop-1-enylisoquinoline.

Molecular Properties

Compound Name3-methyl-1-prop-1-enylisoquinoline
PubChem CID131885557
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name3-methyl-1-prop-1-enylisoquinoline
SMILESCC=Cc1nc(C)cc2ccccc12
InChIInChI=1S/C13H13N/c1-3-6-13-12-8-5-4-7-11(12)9-10(2)14-13/h3-9H,1-2H3
InChIKeyANISYCRJNMJVTK-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-prop-1-enylquinoline
CID 73094462
1-methoxy-3-methylisoquinoline
CID 66489764
(3-methylisoquinolin-1-yl)methanol
CID 82576357
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
1-prop-1-enylanthracene
CID 54542061
2-ethynyl-3-methyl-1-prop-1-enylnaphthalene
CID 123697690
1-(4-iodophenyl)-3-methylisoquinoline
CID 19601654
9-[4-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]phenanthrene
CID 23386729
2-methyl-1-(3-methylisoquinolin-1-yl)propan-2-amine
CID 82577228
1-(4,6-dimethyl-2-pyridinyl)-2-methyl-3-[(Z)-prop-1-enyl]indole
CID 130450233
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-1-enylisoquinoline?
The IUPAC name of 3-methyl-1-prop-1-enylisoquinoline (CID 131885557) is 3-methyl-1-prop-1-enylisoquinoline.
What is the SMILES notation for 3-methyl-1-prop-1-enylisoquinoline?
The canonical SMILES for 3-methyl-1-prop-1-enylisoquinoline is CC=Cc1nc(C)cc2ccccc12.
What is the InChIKey of 3-methyl-1-prop-1-enylisoquinoline?
The InChIKey is ANISYCRJNMJVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-6-13-12-8-5-4-7-11(12)9-10(2)14-13/h3-9H,1-2H3.
What are the key properties of 3-methyl-1-prop-1-enylisoquinoline?
3-methyl-1-prop-1-enylisoquinoline has a molecular weight of 183.25 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-1-enylisoquinoline is sourced from PubChem (CID 131885557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).