2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde

C11H13N3O3 — CID 56991572

IUPAC2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde
SMILESCN1CCN(C(=O)C2(CC=O)C=CC=N2)C1=O
InChIInChI=1S/C11H13N3O3/c1-13-6-7-14(10(13)17)9(16)11(4-8-15)3-2-5-12-11/h2-3,5,8H,4,6-7H2,1H3
InChIKeyIYBOSWNTHXHCQS-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.15
Rot. Bonds3

About 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde

2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde (PubChem CID 56991572) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde
PubChem CID56991572
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde
SMILESCN1CCN(C(=O)C2(CC=O)C=CC=N2)C1=O
InChIInChI=1S/C11H13N3O3/c1-13-6-7-14(10(13)17)9(16)11(4-8-15)3-2-5-12-11/h2-3,5,8H,4,6-7H2,1H3
InChIKeyIYBOSWNTHXHCQS-UHFFFAOYSA-N
XLogP-0.15
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde?
The IUPAC name of 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde (CID 56991572) is 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde?
The canonical SMILES for 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde is CN1CCN(C(=O)C2(CC=O)C=CC=N2)C1=O.
What is the InChIKey of 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde?
The InChIKey is IYBOSWNTHXHCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13-6-7-14(10(13)17)9(16)11(4-8-15)3-2-5-12-11/h2-3,5,8H,4,6-7H2,1H3.
What are the key properties of 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde?
2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde has a molecular weight of 235.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-2-oxoimidazolidine-1-carbonyl)pyrrol-2-yl]acetaldehyde is sourced from PubChem (CID 56991572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).