propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate

C13H17NO4 — CID 23033268

IUPACpropyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C13H17NO4/c1-2-8-18-13(17)9-4-3-5-10(9)14-11(15)6-7-12(14)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyJUULTYFDDZPLPV-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.03
Rot. Bonds4

About propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate

propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate (PubChem CID 23033268) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
PubChem CID23033268
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namepropyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
SMILESCCCOC(=O)C1CCCC1N1C(=O)C=CC1=O
InChIInChI=1S/C13H17NO4/c1-2-8-18-13(17)9-4-3-5-10(9)14-11(15)6-7-12(14)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyJUULTYFDDZPLPV-UHFFFAOYSA-N
XLogP1.03
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione
CID 66881922
trans-benzyl (1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 66881534
1-O-propyl 2-O-tetradecyl cyclohexane-1,2-dicarboxylate
CID 69474239
propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 157438884
1-[(1S,2S,3S)-2,3-dibutoxycyclopentyl]pyrrole-2,5-dione
CID 18439127
2-O-(3,4-dimethylphenyl) 1-O-propyl cyclohexane-1,2-dicarboxylate
CID 91722244
2-[2-(2,5-dioxopyrrol-1-yl)ethoxycarbonyl]cyclohexane-1-carboxylate
CID 167333273
2-O-(16-methylheptadecyl) 1-O-propyl cyclohexane-1,2-dicarboxylate
CID 154246477
trans-propyl (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 93032108
1-(2-methoxycyclopentyl)pyrrole-2,5-dione
CID 18439075
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206
1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione
CID 66880681

Frequently Asked Questions

What is the IUPAC name of propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate?
The IUPAC name of propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate (CID 23033268) is propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate?
The canonical SMILES for propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate is CCCOC(=O)C1CCCC1N1C(=O)C=CC1=O.
What is the InChIKey of propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate?
The InChIKey is JUULTYFDDZPLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-8-18-13(17)9-4-3-5-10(9)14-11(15)6-7-12(14)16/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate?
propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 23033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).