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

C15H14N2O2 — CID 3063675

IUPAC1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O2/c1-16-10-9-14(18)17(15(16)19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKeyLXBLGDYZOMEQFF-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.63
Rot. Bonds1

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

1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione (PubChem CID 3063675) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione
PubChem CID3063675
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C15H14N2O2/c1-16-10-9-14(18)17(15(16)19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3
InChIKeyLXBLGDYZOMEQFF-UHFFFAOYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione (CID 3063675) is 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione is CN1CCC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The InChIKey is LXBLGDYZOMEQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-16-10-9-14(18)17(15(16)19)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3.
What are the key properties of 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione?
1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 3063675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).