(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one

C15H15NO2 — CID 640951

IUPAC(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
SMILESCc1cc2ccc3c(c2cn1)O[C@H](C(C)C)C3=O
InChIInChI=1S/C15H15NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-8,14H,1-3H3/t14-/m1/s1
InChIKeyJROFCJKUGPMKCQ-CQSZACIVSA-N
MW241.29 g/mol
LogP3.14
Rot. Bonds1

About (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one

(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one (PubChem CID 640951) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one.

Molecular Properties

Compound Name(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
PubChem CID640951
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one
SMILESCc1cc2ccc3c(c2cn1)O[C@H](C(C)C)C3=O
InChIInChI=1S/C15H15NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-8,14H,1-3H3/t14-/m1/s1
InChIKeyJROFCJKUGPMKCQ-CQSZACIVSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one?
The IUPAC name of (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one (CID 640951) is (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one.
What is the SMILES notation for (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one?
The canonical SMILES for (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one is Cc1cc2ccc3c(c2cn1)O[C@H](C(C)C)C3=O.
What is the InChIKey of (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one?
The InChIKey is JROFCJKUGPMKCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H15NO2/c1-8(2)14-13(17)11-5-4-10-6-9(3)16-7-12(10)15(11)18-14/h4-8,14H,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one?
(2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one has a molecular weight of 241.29 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-methyl-2-propan-2-ylfuro[3,2-h]isoquinolin-3-one is sourced from PubChem (CID 640951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).