(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione

C14H15N3O3 — CID 7279670

IUPAC(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESCCOc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-12(18)9-14(13(17)19)7-8-15-16-14/h3-6H,2,7-9H2,1H3/t14-/m1/s1
InChIKeyPILVJSWRWHFUBV-CQSZACIVSA-N
MW273.29 g/mol
LogP1.94
Rot. Bonds3

About (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione

(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (PubChem CID 7279670) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
PubChem CID7279670
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESCCOc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-12(18)9-14(13(17)19)7-8-15-16-14/h3-6H,2,7-9H2,1H3/t14-/m1/s1
InChIKeyPILVJSWRWHFUBV-CQSZACIVSA-N
XLogP1.94
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-3,3-bis(2-hydroxyethylsulfanyl)pyrrolidine-2,5-dione
CID 87926065
1-[4-(2-aminoethoxy)phenyl]-3,3-diethylpyrrolidine-2,5-dione
CID 43437363
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
9-ethenyl-2-(4-ethoxyphenyl)-7-methyl-8-propan-2-ylidene-2-azaspiro[4.4]nonane-1,3-dione
CID 23736504
(1R,2S,6R,7S)-4-(4-ethoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 11880247
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608
1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115946079
5-(aminomethyl)-2-(4-ethoxyphenyl)-4H-pyrazol-3-one
CID 107958688
(3aR,4S,7R,7aR)-2-(4-ethoxyphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98171061

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The IUPAC name of (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (CID 7279670) is (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.
What is the SMILES notation for (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The canonical SMILES for (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is CCOc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1.
What is the InChIKey of (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The InChIKey is PILVJSWRWHFUBV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)17-12(18)9-14(13(17)19)7-8-15-16-14/h3-6H,2,7-9H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione has a molecular weight of 273.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is sourced from PubChem (CID 7279670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).