cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine

C15H22N2O2 — CID 143626574

IUPACcyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine
SMILESC1CCCC1.CN.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C5H10.CH5N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-2-4-5-3-1;1-2/h1-5,11H,(H,10,12);1-5H2;2H2,1H3
InChIKeyFDXTXDWEIYAPAP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.76
Rot. Bonds

About cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine

cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine (PubChem CID 143626574) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine.

Molecular Properties

Compound Namecyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine
PubChem CID143626574
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namecyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine
SMILESC1CCCC1.CN.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C5H10.CH5N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-2-4-5-3-1;1-2/h1-5,11H,(H,10,12);1-5H2;2H2,1H3
InChIKeyFDXTXDWEIYAPAP-UHFFFAOYSA-N
XLogP2.76
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine?
The IUPAC name of cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine (CID 143626574) is cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine.
What is the SMILES notation for cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine?
The canonical SMILES for cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine is C1CCCC1.CN.O=c1[nH]ccc2cc(O)ccc12.
What is the InChIKey of cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine?
The InChIKey is FDXTXDWEIYAPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C5H10.CH5N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;1-2-4-5-3-1;1-2/h1-5,11H,(H,10,12);1-5H2;2H2,1H3.
What are the key properties of cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine?
cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine has a molecular weight of 262.35 g/mol, XLogP of 2.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;6-hydroxy-2H-isoquinolin-1-one;methanamine is sourced from PubChem (CID 143626574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).