5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione

C9H12Cl2N2O2 — CID 159119621

IUPAC5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1C(C(C)(C)C)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C9H12Cl2N2O2/c1-5-6(9(2,3)4)7(14)13(11)8(15)12(5)10/h6H,1H2,2-4H3
InChIKeyMYJTZFBRGMFPNM-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.73
Rot. Bonds

About 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione

5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione (PubChem CID 159119621) has the molecular formula C9H12Cl2N2O2 and a molecular weight of 251.11 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione
PubChem CID159119621
Molecular FormulaC9H12Cl2N2O2
Molecular Weight251.11 g/mol
Exact Mass250.03
IUPAC Name5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione
SMILESC=C1C(C(C)(C)C)C(=O)N(Cl)C(=O)N1Cl
InChIInChI=1S/C9H12Cl2N2O2/c1-5-6(9(2,3)4)7(14)13(11)8(15)12(5)10/h6H,1H2,2-4H3
InChIKeyMYJTZFBRGMFPNM-UHFFFAOYSA-N
XLogP2.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Tert-butyl-6-methylidene-1,3-diazinane-2,4-dione
CID 23383514

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione (CID 159119621) is 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione is C=C1C(C(C)(C)C)C(=O)N(Cl)C(=O)N1Cl.
What is the InChIKey of 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione?
The InChIKey is MYJTZFBRGMFPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O2/c1-5-6(9(2,3)4)7(14)13(11)8(15)12(5)10/h6H,1H2,2-4H3.
What are the key properties of 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione?
5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione has a molecular weight of 251.11 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dichloro-6-methylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 159119621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).