cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one

C14H18N2O2 — CID 143626578

IUPACcyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
SMILESNC1CCCC1.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C5H11N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;6-5-3-1-2-4-5/h1-5,11H,(H,10,12);5H,1-4,6H2
InChIKeyFTPSPZBFYKCEPN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.12
Rot. Bonds

About cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one

cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one (PubChem CID 143626578) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Namecyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
PubChem CID143626578
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namecyclopentanamine;6-hydroxy-2H-isoquinolin-1-one
SMILESNC1CCCC1.O=c1[nH]ccc2cc(O)ccc12
InChIInChI=1S/C9H7NO2.C5H11N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;6-5-3-1-2-4-5/h1-5,11H,(H,10,12);5H,1-4,6H2
InChIKeyFTPSPZBFYKCEPN-UHFFFAOYSA-N
XLogP2.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one?
The IUPAC name of cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one (CID 143626578) is cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one.
What is the SMILES notation for cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one?
The canonical SMILES for cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one is NC1CCCC1.O=c1[nH]ccc2cc(O)ccc12.
What is the InChIKey of cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one?
The InChIKey is FTPSPZBFYKCEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C5H11N/c11-7-1-2-8-6(5-7)3-4-10-9(8)12;6-5-3-1-2-4-5/h1-5,11H,(H,10,12);5H,1-4,6H2.
What are the key properties of cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one?
cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.12, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;6-hydroxy-2H-isoquinolin-1-one is sourced from PubChem (CID 143626578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).