3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione

C13H13ClN2O2 — CID 54924403

IUPAC3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c14-9-1-3-11(4-2-9)16-12(17)7-8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2
InChIKeyKUDKXHWBGYDOES-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.66
Rot. Bonds2

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

3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione (PubChem CID 54924403) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione
PubChem CID54924403
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(C2CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c14-9-1-3-11(4-2-9)16-12(17)7-8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2
InChIKeyKUDKXHWBGYDOES-UHFFFAOYSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione (CID 54924403) is 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione is O=C1CCN(C2CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione?
The InChIKey is KUDKXHWBGYDOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-9-1-3-11(4-2-9)16-12(17)7-8-15(13(16)18)10-5-6-10/h1-4,10H,5-8H2.
What are the key properties of 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione?
3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione has a molecular weight of 264.71 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopropyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 54924403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).