3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid

C14H16N2O3 — CID 69317469

IUPAC3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C14H16N2O3/c17-13(18)16-8-6-14(7-9-16)10-12(15-19-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyHWCZSCYNCRMUCO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds1

About 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid

3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid (PubChem CID 69317469) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
PubChem CID69317469
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C14H16N2O3/c17-13(18)16-8-6-14(7-9-16)10-12(15-19-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18)
InChIKeyHWCZSCYNCRMUCO-UHFFFAOYSA-N
XLogP2.32
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The IUPAC name of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid (CID 69317469) is 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid.
What is the SMILES notation for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The canonical SMILES for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid is O=C(O)N1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid?
The InChIKey is HWCZSCYNCRMUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(18)16-8-6-14(7-9-16)10-12(15-19-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,17,18).
What are the key properties of 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid?
3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid is sourced from PubChem (CID 69317469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).