4-oxoimidazolidine-2-carbaldehyde

C4H6N2O2 — CID 22006153

IUPAC4-oxoimidazolidine-2-carbaldehyde
SMILESO=CC1NCC(=O)N1
InChIInChI=1S/C4H6N2O2/c7-2-3-5-1-4(8)6-3/h2-3,5H,1H2,(H,6,8)
InChIKeyHQRITQJFZXGVEO-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.77
Rot. Bonds1

About 4-oxoimidazolidine-2-carbaldehyde

4-oxoimidazolidine-2-carbaldehyde (PubChem CID 22006153) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 4-oxoimidazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-oxoimidazolidine-2-carbaldehyde
PubChem CID22006153
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name4-oxoimidazolidine-2-carbaldehyde
SMILESO=CC1NCC(=O)N1
InChIInChI=1S/C4H6N2O2/c7-2-3-5-1-4(8)6-3/h2-3,5H,1H2,(H,6,8)
InChIKeyHQRITQJFZXGVEO-UHFFFAOYSA-N
XLogP-1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Allantoin
CID 204
Hydantoin
CID 10006
Allantoin, (R)-
CID 439713
(S)-(+)-allantoin
CID 439714
DL-Allantoin-5-13C,1-15N
CID 71309133
5-Aminoimidazolidine-2,4-dione
CID 13953815
2-(2-Hydroxy-5-oxo-4,5-dihydro-1h-imidazol-1-yl)acetamide
CID 43236280
Hydantoin formaldehyde
CID 69978123
2-Methylimidazolidine-4,5-dione
CID 71344016
2-Imidazolidinone Ethanedial
CID 86693786
2,4-Dioxoimidazolidine-1-carbaldehyde
CID 87283465
3-(2-Aminoethyl)imidazolidine-2,4-dione
CID 10909678

Frequently Asked Questions

What is the IUPAC name of 4-oxoimidazolidine-2-carbaldehyde?
The IUPAC name of 4-oxoimidazolidine-2-carbaldehyde (CID 22006153) is 4-oxoimidazolidine-2-carbaldehyde.
What is the SMILES notation for 4-oxoimidazolidine-2-carbaldehyde?
The canonical SMILES for 4-oxoimidazolidine-2-carbaldehyde is O=CC1NCC(=O)N1.
What is the InChIKey of 4-oxoimidazolidine-2-carbaldehyde?
The InChIKey is HQRITQJFZXGVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-2-3-5-1-4(8)6-3/h2-3,5H,1H2,(H,6,8).
What are the key properties of 4-oxoimidazolidine-2-carbaldehyde?
4-oxoimidazolidine-2-carbaldehyde has a molecular weight of 114.10 g/mol, XLogP of -1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxoimidazolidine-2-carbaldehyde is sourced from PubChem (CID 22006153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).