6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione

C13H15ClN2O2 — CID 10515936

IUPAC6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C13H15ClN2O2/c1-2-6-16-12(17)8-11(15-13(16)18)9-4-3-5-10(14)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,15,18)
InChIKeyCJIASMVAKMEKLE-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.73
Rot. Bonds3

About 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione

6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 10515936) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
PubChem CID10515936
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)CC(c2cccc(Cl)c2)NC1=O
InChIInChI=1S/C13H15ClN2O2/c1-2-6-16-12(17)8-11(15-13(16)18)9-4-3-5-10(14)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,15,18)
InChIKeyCJIASMVAKMEKLE-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione (CID 10515936) is 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione is CCCN1C(=O)CC(c2cccc(Cl)c2)NC1=O.
What is the InChIKey of 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is CJIASMVAKMEKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-6-16-12(17)8-11(15-13(16)18)9-4-3-5-10(14)7-9/h3-5,7,11H,2,6,8H2,1H3,(H,15,18).
What are the key properties of 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione?
6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 266.73 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10515936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).