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

C14H15N3O2 — CID 7420924

IUPAC(5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESCCc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-10-3-5-11(6-4-10)17-12(18)9-14(13(17)19)7-8-15-16-14/h3-6H,2,7-9H2,1H3/t14-/m1/s1
InChIKeyFEYCXAJJQWAEKF-CQSZACIVSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds2

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

(5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (PubChem CID 7420924) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
PubChem CID7420924
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
SMILESCCc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1
InChIInChI=1S/C14H15N3O2/c1-2-10-3-5-11(6-4-10)17-12(18)9-14(13(17)19)7-8-15-16-14/h3-6H,2,7-9H2,1H3/t14-/m1/s1
InChIKeyFEYCXAJJQWAEKF-CQSZACIVSA-N
XLogP2.11
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-7-(4-ethoxyphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
CID 7279670
(5R)-7-(4-chlorophenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione
CID 7412017
3-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 117062788
ethyl 1-acetyl-7-(4-ethylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
CID 3298327
2-[4-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 43437490
1-(4-ethylphenyl)-4-phenylpiperidine-2,6-dione
CID 46298377
1-[4-(aminomethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43437343
1-[4-(2-aminoethyl)phenyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 62303702
3-methyl-1-[4-(methylaminomethyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 106913203
(1S,2R,6R,7S,8R,10R)-4-(4-ethylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124712446
(3R)-3-ethyl-3-methyl-1-phenylpyrrolidine-2,5-dione
CID 1331361
2-amino-3-[(4-ethylphenyl)methyl]-5,5-dimethylimidazol-4-one
CID 145459681

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The IUPAC name of (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione (CID 7420924) is (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione.
What is the SMILES notation for (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The canonical SMILES for (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is CCc1ccc(N2C(=O)C[C@]3(CCN=N3)C2=O)cc1.
What is the InChIKey of (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
The InChIKey is FEYCXAJJQWAEKF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-10-3-5-11(6-4-10)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-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione?
(5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione has a molecular weight of 257.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(4-ethylphenyl)-1,2,7-triazaspiro[4.4]non-1-ene-6,8-dione is sourced from PubChem (CID 7420924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).