1-naphthalen-1-yl-1,4-diazepane-2,5-dione

C15H14N2O2 — CID 64956427

IUPAC1-naphthalen-1-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cccc3ccccc23)C(=O)CN1
InChIInChI=1S/C15H14N2O2/c18-14-8-9-17(15(19)10-16-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,16,18)
InChIKeyWXNOZWOHZBFDSF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.69
Rot. Bonds1

About 1-naphthalen-1-yl-1,4-diazepane-2,5-dione

1-naphthalen-1-yl-1,4-diazepane-2,5-dione (PubChem CID 64956427) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-naphthalen-1-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-naphthalen-1-yl-1,4-diazepane-2,5-dione
PubChem CID64956427
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-naphthalen-1-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cccc3ccccc23)C(=O)CN1
InChIInChI=1S/C15H14N2O2/c18-14-8-9-17(15(19)10-16-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,16,18)
InChIKeyWXNOZWOHZBFDSF-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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-1,4-diazepane-2,5-dione?
The IUPAC name of 1-naphthalen-1-yl-1,4-diazepane-2,5-dione (CID 64956427) is 1-naphthalen-1-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-naphthalen-1-yl-1,4-diazepane-2,5-dione is O=C1CCN(c2cccc3ccccc23)C(=O)CN1.
What is the InChIKey of 1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
The InChIKey is WXNOZWOHZBFDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14-8-9-17(15(19)10-16-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,16,18).
What are the key properties of 1-naphthalen-1-yl-1,4-diazepane-2,5-dione?
1-naphthalen-1-yl-1,4-diazepane-2,5-dione has a molecular weight of 254.29 g/mol, XLogP of 1.69, 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-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64956427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).