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

C14H16N2O3 — CID 54924501

IUPAC1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)CCN(C3CC3)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-4-11(5-7-12)16-13(17)8-9-15(14(16)18)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyLWGLZMUJEDGQNN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.02
Rot. Bonds3

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

1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 54924501) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID54924501
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)CCN(C3CC3)C2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-19-12-6-4-11(5-7-12)16-13(17)8-9-15(14(16)18)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3
InChIKeyLWGLZMUJEDGQNN-UHFFFAOYSA-N
XLogP2.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 54924501) is 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1ccc(N2C(=O)CCN(C3CC3)C2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is LWGLZMUJEDGQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-12-6-4-11(5-7-12)16-13(17)8-9-15(14(16)18)10-2-3-10/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 54924501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).