4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one

C16H19NO2 — CID 684171

IUPAC4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C16H19NO2/c18-15-11-14(16(19-15)9-5-2-6-10-16)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2
InChIKeyJIMPDJFCYFNBSU-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.92
Rot. Bonds3

About 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one

4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 684171) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID684171
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C16H19NO2/c18-15-11-14(16(19-15)9-5-2-6-10-16)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2
InChIKeyJIMPDJFCYFNBSU-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one (CID 684171) is 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(NCc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is JIMPDJFCYFNBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-15-11-14(16(19-15)9-5-2-6-10-16)17-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2.
What are the key properties of 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 257.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 684171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).