1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione

C9H12N2O2 — CID 131196676

IUPAC1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CC3CC3C2)C(=O)N1
InChIInChI=1S/C9H12N2O2/c12-8-4-11(9(13)10-8)7-2-5-1-6(5)3-7/h5-7H,1-4H2,(H,10,12,13)
InChIKeyIPMDUIUSUODYIX-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.34
Rot. Bonds1

About 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione

1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione (PubChem CID 131196676) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione
PubChem CID131196676
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione
SMILESO=C1CN(C2CC3CC3C2)C(=O)N1
InChIInChI=1S/C9H12N2O2/c12-8-4-11(9(13)10-8)7-2-5-1-6(5)3-7/h5-7H,1-4H2,(H,10,12,13)
InChIKeyIPMDUIUSUODYIX-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione (CID 131196676) is 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione is O=C1CN(C2CC3CC3C2)C(=O)N1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione?
The InChIKey is IPMDUIUSUODYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-4-11(9(13)10-8)7-2-5-1-6(5)3-7/h5-7H,1-4H2,(H,10,12,13).
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione?
1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)imidazolidine-2,4-dione is sourced from PubChem (CID 131196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).