8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one

C18H19NO — CID 70963500

IUPAC8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one
SMILESO=C1CNCC2(CC2)CC1c1cccc2ccccc12
InChIInChI=1S/C18H19NO/c20-17-11-19-12-18(8-9-18)10-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16,19H,8-12H2
InChIKeyRBRNXGVSDQTDPS-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds1

About 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one

8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one (PubChem CID 70963500) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one.

Molecular Properties

Compound Name8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one
PubChem CID70963500
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one
SMILESO=C1CNCC2(CC2)CC1c1cccc2ccccc12
InChIInChI=1S/C18H19NO/c20-17-11-19-12-18(8-9-18)10-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16,19H,8-12H2
InChIKeyRBRNXGVSDQTDPS-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one?
The IUPAC name of 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one (CID 70963500) is 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one.
What is the SMILES notation for 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one?
The canonical SMILES for 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one is O=C1CNCC2(CC2)CC1c1cccc2ccccc12.
What is the InChIKey of 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one?
The InChIKey is RBRNXGVSDQTDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-17-11-19-12-18(8-9-18)10-16(17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16,19H,8-12H2.
What are the key properties of 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one?
8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one has a molecular weight of 265.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-1-yl-5-azaspiro[2.6]nonan-7-one is sourced from PubChem (CID 70963500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).