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

C15H14N2O2 — CID 13086234

IUPAC5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2cccc3ccccc23)C(=O)NC1=O
InChIInChI=1S/C15H14N2O2/c1-10-9-17(15(19)16-14(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9H2,1H3,(H,16,18,19)
InChIKeyVTLNREBAGQLMGI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.53
Rot. Bonds1

About 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione

5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione (PubChem CID 13086234) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione
PubChem CID13086234
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione
SMILESCC1CN(c2cccc3ccccc23)C(=O)NC1=O
InChIInChI=1S/C15H14N2O2/c1-10-9-17(15(19)16-14(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9H2,1H3,(H,16,18,19)
InChIKeyVTLNREBAGQLMGI-UHFFFAOYSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione (CID 13086234) is 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione is CC1CN(c2cccc3ccccc23)C(=O)NC1=O.
What is the InChIKey of 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
The InChIKey is VTLNREBAGQLMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-10-9-17(15(19)16-14(10)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8,10H,9H2,1H3,(H,16,18,19).
What are the key properties of 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione?
5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-naphthalen-1-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 13086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).