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

C17H21NO2 — CID 685180

IUPAC4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-13-15(17(20-16)10-5-2-6-11-17)18-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,13,18H,2,5-6,9-12H2
InChIKeyIPZCRVUYKCHVKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.96
Rot. Bonds4

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

4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 685180) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID685180
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C(NCCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C17H21NO2/c19-16-13-15(17(20-16)10-5-2-6-11-17)18-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,13,18H,2,5-6,9-12H2
InChIKeyIPZCRVUYKCHVKH-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (CID 685180) is 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is O=C1C=C(NCCc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is IPZCRVUYKCHVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16-13-15(17(20-16)10-5-2-6-11-17)18-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,13,18H,2,5-6,9-12H2.
What are the key properties of 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 685180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).