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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Related Compounds

1-[(1S,2S)-2-[(2-methylpropan-2-yl)oxy]cyclopentyl]pyrrole-2,5-dione
CID 66880051
4-(2-methoxycyclopentyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115947861
1-cyclobutylpyrrole-2,5-dione;1-cyclopropylpyrrole-2,5-dione
CID 159672189
1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione
CID 66880681
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1-[(1S,2S,3S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66882607
1-[(1S,2S)-2,3-dimethylcyclopentyl]pyrrole-2,5-dione
CID 66880384
3-amino-1-[(2R)-2-methoxycyclopentyl]pyridin-2-one
CID 137450052
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 23033268
1-(2-methoxycyclopentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 62086742
3-(2-methoxycyclopentyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83253742

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).