1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C15H17N3O4 — CID 31394641

IUPAC1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCn1cccc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17N3O4/c1-16-8-4-7-11(16)12(19)9-17-13(20)14(21)18(15(17)22)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeySMCJPRUPPOJCIF-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.94
Rot. Bonds4

About 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 31394641) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID31394641
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESCn1cccc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C15H17N3O4/c1-16-8-4-7-11(16)12(19)9-17-13(20)14(21)18(15(17)22)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3
InChIKeySMCJPRUPPOJCIF-UHFFFAOYSA-N
XLogP0.94
TPSA79.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 31394641) is 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is Cn1cccc1C(=O)CN1C(=O)C(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is SMCJPRUPPOJCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-16-8-4-7-11(16)12(19)9-17-13(20)14(21)18(15(17)22)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3.
What are the key properties of 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 303.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 31394641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).