5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione

C8H13N3O2 — CID 83876210

IUPAC5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione
SMILESNCCC1C(=O)NC(=O)N1C1CC1
InChIInChI=1S/C8H13N3O2/c9-4-3-6-7(12)10-8(13)11(6)5-1-2-5/h5-6H,1-4,9H2,(H,10,12,13)
InChIKeyQQHCIXZBJIGTSQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.58
Rot. Bonds3

About 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione

5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione (PubChem CID 83876210) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione
PubChem CID83876210
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione
SMILESNCCC1C(=O)NC(=O)N1C1CC1
InChIInChI=1S/C8H13N3O2/c9-4-3-6-7(12)10-8(13)11(6)5-1-2-5/h5-6H,1-4,9H2,(H,10,12,13)
InChIKeyQQHCIXZBJIGTSQ-UHFFFAOYSA-N
XLogP-0.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione (CID 83876210) is 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione is NCCC1C(=O)NC(=O)N1C1CC1.
What is the InChIKey of 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione?
The InChIKey is QQHCIXZBJIGTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-4-3-6-7(12)10-8(13)11(6)5-1-2-5/h5-6H,1-4,9H2,(H,10,12,13).
What are the key properties of 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione?
5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 83876210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).