7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one

C15H13NO2 — CID 640952

IUPAC7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one
SMILESCC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O
InChIInChI=1S/C15H13NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-7H,1-3H3
InChIKeyKJJZKDAMKKPUPJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.41
Rot. Bonds

About 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one

7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one (PubChem CID 640952) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one.

Molecular Properties

Compound Name7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one
PubChem CID640952
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one
SMILESCC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O
InChIInChI=1S/C15H13NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-7H,1-3H3
InChIKeyKJJZKDAMKKPUPJ-UHFFFAOYSA-N
XLogP3.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one?
The IUPAC name of 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one (CID 640952) is 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one.
What is the SMILES notation for 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one?
The canonical SMILES for 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one is CC(C)=C1Oc2c(ccc3cc(C)ncc23)C1=O.
What is the InChIKey of 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one?
The InChIKey is KJJZKDAMKKPUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-7H,1-3H3.
What are the key properties of 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one?
7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one has a molecular weight of 239.27 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-ylidenefuro[3,2-h]isoquinolin-3-one is sourced from PubChem (CID 640952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).