1-(2-methoxycyclopentyl)pyrrole-2,5-dione

C10H13NO3 — CID 18439075

IUPAC1-(2-methoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-3-7(8)11-9(12)5-6-10(11)13/h5-8H,2-4H2,1H3
InChIKeyPKAVVDQZZQHTPE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.48
Rot. Bonds2

About 1-(2-methoxycyclopentyl)pyrrole-2,5-dione

1-(2-methoxycyclopentyl)pyrrole-2,5-dione (PubChem CID 18439075) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)pyrrole-2,5-dione
PubChem CID18439075
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(2-methoxycyclopentyl)pyrrole-2,5-dione
SMILESCOC1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-14-8-4-2-3-7(8)11-9(12)5-6-10(11)13/h5-8H,2-4H2,1H3
InChIKeyPKAVVDQZZQHTPE-UHFFFAOYSA-N
XLogP0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.48
H-Bond Donors ≤ 50
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 1-(2-methoxycyclopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxycyclopentyl)pyrrole-2,5-dione (CID 18439075) is 1-(2-methoxycyclopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxycyclopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxycyclopentyl)pyrrole-2,5-dione is COC1CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methoxycyclopentyl)pyrrole-2,5-dione?
The InChIKey is PKAVVDQZZQHTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(8)11-9(12)5-6-10(11)13/h5-8H,2-4H2,1H3.
What are the key properties of 1-(2-methoxycyclopentyl)pyrrole-2,5-dione?
1-(2-methoxycyclopentyl)pyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18439075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).