7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione

C16H14N2O2 — CID 81156365

IUPAC7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-14-16(9-4-10-16)17-15(20)18(14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,20)
InChIKeyZZVWVLZDAHLMRK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.82
Rot. Bonds1

About 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione

7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 81156365) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID81156365
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1c1cccc2ccccc12
InChIInChI=1S/C16H14N2O2/c19-14-16(9-4-10-16)17-15(20)18(14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,20)
InChIKeyZZVWVLZDAHLMRK-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 81156365) is 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1c1cccc2ccccc12.
What is the InChIKey of 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is ZZVWVLZDAHLMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-14-16(9-4-10-16)17-15(20)18(14)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2,(H,17,20).
What are the key properties of 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione?
7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 266.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 81156365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).