3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

C13H16N4O3 — CID 121159893

IUPAC3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cccc1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H16N4O3/c18-11-7-14-13(20)17(11)10-3-6-16(8-10)12(19)9-15-4-1-2-5-15/h1-2,4-5,10H,3,6-9H2,(H,14,20)
InChIKeyUETVXNLCQPKXCU-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.36
Rot. Bonds3

About 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159893) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159893
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cccc1)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H16N4O3/c18-11-7-14-13(20)17(11)10-3-6-16(8-10)12(19)9-15-4-1-2-5-15/h1-2,4-5,10H,3,6-9H2,(H,14,20)
InChIKeyUETVXNLCQPKXCU-UHFFFAOYSA-N
XLogP-0.36
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159717
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159907
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 121159977
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159768
3-[1-(2,6-dimethoxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159752
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159893) is 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(Cn1cccc1)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is UETVXNLCQPKXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c18-11-7-14-13(20)17(11)10-3-6-16(8-10)12(19)9-15-4-1-2-5-15/h1-2,4-5,10H,3,6-9H2,(H,14,20).
What are the key properties of 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 276.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).