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

C17H21NO2 — CID 2851262

IUPAC4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(NC1=CC(=O)OC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(14-8-4-2-5-9-14)18-15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11H2,1H3
InChIKeyLBHFZQDNEVUHGZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.48
Rot. Bonds3

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

4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (PubChem CID 2851262) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
PubChem CID2851262
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one
SMILESCC(NC1=CC(=O)OC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H21NO2/c1-13(14-8-4-2-5-9-14)18-15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11H2,1H3
InChIKeyLBHFZQDNEVUHGZ-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one (CID 2851262) is 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is CC(NC1=CC(=O)OC12CCCCC2)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
The InChIKey is LBHFZQDNEVUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(14-8-4-2-5-9-14)18-15-12-16(19)20-17(15)10-6-3-7-11-17/h2,4-5,8-9,12-13,18H,3,6-7,10-11H2,1H3.
What are the key properties of 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one?
4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylamino)-1-oxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 2851262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).