1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione

C13H17Br3N2O2 — CID 156785098

IUPAC1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione
SMILESBrC12CC3CC(CC(C3)C1)C2.O=C1CN(Br)C(=O)N1Br
InChIInChI=1S/C10H15Br.C3H2Br2N2O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;4-6-1-2(8)7(5)3(6)9/h7-9H,1-6H2;1H2
InChIKeyRKPDMBQWVZOLNM-UHFFFAOYSA-N
MW473.00 g/mol
LogP4.22
Rot. Bonds

About 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione

1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione (PubChem CID 156785098) has the molecular formula C13H17Br3N2O2 and a molecular weight of 473.00 g/mol. Its IUPAC name is 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione
PubChem CID156785098
Molecular FormulaC13H17Br3N2O2
Molecular Weight473.00 g/mol
Exact Mass469.88
IUPAC Name1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione
SMILESBrC12CC3CC(CC(C3)C1)C2.O=C1CN(Br)C(=O)N1Br
InChIInChI=1S/C10H15Br.C3H2Br2N2O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;4-6-1-2(8)7(5)3(6)9/h7-9H,1-6H2;1H2
InChIKeyRKPDMBQWVZOLNM-UHFFFAOYSA-N
XLogP4.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione?
The IUPAC name of 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione (CID 156785098) is 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione.
What is the SMILES notation for 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione?
The canonical SMILES for 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione is BrC12CC3CC(CC(C3)C1)C2.O=C1CN(Br)C(=O)N1Br.
What is the InChIKey of 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione?
The InChIKey is RKPDMBQWVZOLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br.C3H2Br2N2O2/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;4-6-1-2(8)7(5)3(6)9/h7-9H,1-6H2;1H2.
What are the key properties of 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione?
1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione has a molecular weight of 473.00 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoadamantane;1,3-dibromoimidazolidine-2,4-dione is sourced from PubChem (CID 156785098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).