1-naphthalen-1-yl-1,3-diazinane-2,4-dione

C14H12N2O2 — CID 79777720

IUPAC1-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H12N2O2/c17-13-8-9-16(14(18)15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18)
InChIKeyNPBXDJUFJCQVQG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.29
Rot. Bonds1

About 1-naphthalen-1-yl-1,3-diazinane-2,4-dione

1-naphthalen-1-yl-1,3-diazinane-2,4-dione (PubChem CID 79777720) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-naphthalen-1-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-naphthalen-1-yl-1,3-diazinane-2,4-dione
PubChem CID79777720
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc3ccccc23)C(=O)N1
InChIInChI=1S/C14H12N2O2/c17-13-8-9-16(14(18)15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18)
InChIKeyNPBXDJUFJCQVQG-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-naphthalen-1-yl-1,3-diazinane-2,4-dione (CID 79777720) is 1-naphthalen-1-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-naphthalen-1-yl-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc3ccccc23)C(=O)N1.
What is the InChIKey of 1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The InChIKey is NPBXDJUFJCQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-13-8-9-16(14(18)15-13)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18).
What are the key properties of 1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
1-naphthalen-1-yl-1,3-diazinane-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).