6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione

C16H16N2O2 — CID 81072141

IUPAC6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione
SMILESCC1CNC(=O)N(c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C16H16N2O2/c1-11-9-15(19)18(16(20)17-10-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyPVZQMNXBMSVMIY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds1

About 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione

6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione (PubChem CID 81072141) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione
PubChem CID81072141
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione
SMILESCC1CNC(=O)N(c2cccc3ccccc23)C(=O)C1
InChIInChI=1S/C16H16N2O2/c1-11-9-15(19)18(16(20)17-10-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,20)
InChIKeyPVZQMNXBMSVMIY-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione?
The IUPAC name of 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione (CID 81072141) is 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione.
What is the SMILES notation for 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione?
The canonical SMILES for 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione is CC1CNC(=O)N(c2cccc3ccccc23)C(=O)C1.
What is the InChIKey of 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione?
The InChIKey is PVZQMNXBMSVMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-9-15(19)18(16(20)17-10-11)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10H2,1H3,(H,17,20).
What are the key properties of 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione?
6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-naphthalen-1-yl-1,3-diazepane-2,4-dione is sourced from PubChem (CID 81072141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).