2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione

C15H17NO3 — CID 62522144

IUPAC2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1C1(CO)CCCC1
InChIInChI=1S/C15H17NO3/c17-10-15(7-3-4-8-15)16-13(18)9-11-5-1-2-6-12(11)14(16)19/h1-2,5-6,17H,3-4,7-10H2
InChIKeyGZEBDAVNYFWRKO-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.52
Rot. Bonds2

About 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione

2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione (PubChem CID 62522144) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione
PubChem CID62522144
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1C1(CO)CCCC1
InChIInChI=1S/C15H17NO3/c17-10-15(7-3-4-8-15)16-13(18)9-11-5-1-2-6-12(11)14(16)19/h1-2,5-6,17H,3-4,7-10H2
InChIKeyGZEBDAVNYFWRKO-UHFFFAOYSA-N
XLogP1.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione (CID 62522144) is 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1C1(CO)CCCC1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione?
The InChIKey is GZEBDAVNYFWRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-10-15(7-3-4-8-15)16-13(18)9-11-5-1-2-6-12(11)14(16)19/h1-2,5-6,17H,3-4,7-10H2.
What are the key properties of 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione?
2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione has a molecular weight of 259.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 62522144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).