6-chloro-3-propyl-1,3-diazinane-2,4-dione

C7H11ClN2O2 — CID 78201033

IUPAC6-chloro-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(Cl)NC1=O
InChIInChI=1S/C7H11ClN2O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyZKRBUQOTVBDHEM-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.90
Rot. Bonds2

About 6-chloro-3-propyl-1,3-diazinane-2,4-dione

6-chloro-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 78201033) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 6-chloro-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-propyl-1,3-diazinane-2,4-dione
PubChem CID78201033
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name6-chloro-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(Cl)NC1=O
InChIInChI=1S/C7H11ClN2O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h5H,2-4H2,1H3,(H,9,12)
InChIKeyZKRBUQOTVBDHEM-UHFFFAOYSA-N
XLogP0.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-chloro-3-propyl-1,3-diazinane-2,4-dione (CID 78201033) is 6-chloro-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-chloro-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-chloro-3-propyl-1,3-diazinane-2,4-dione is CCCN1C(=O)CC(Cl)NC1=O.
What is the InChIKey of 6-chloro-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is ZKRBUQOTVBDHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-2-3-10-6(11)4-5(8)9-7(10)12/h5H,2-4H2,1H3,(H,9,12).
What are the key properties of 6-chloro-3-propyl-1,3-diazinane-2,4-dione?
6-chloro-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 190.63 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 78201033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).