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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Related Compounds

1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
1-benzyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 31394302
1-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-cyclohexylimidazolidine-2,4,5-trione
CID 34604510
2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid
CID 122148902
1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 2663294
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2438857
1-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]-3-[(1S)-1-phenylethyl]imidazolidine-2,4,5-trione
CID 34629800
1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 38866732
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064

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).