1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione

C25H26N2O4 — CID 14847811

IUPAC1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESC=CCc1cc(N2C(=O)CCC23CCC(=O)N3c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C25H26N2O4/c1-3-5-17-15-19(7-9-21(17)28)26-23(30)11-13-25(26)14-12-24(31)27(25)20-8-10-22(29)18(16-20)6-4-2/h3-4,7-10,15-16,28-29H,1-2,5-6,11-14H2
InChIKeyFCGMFXRAJQKCOO-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.20
Rot. Bonds6

About 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione

1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione (PubChem CID 14847811) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione.

Molecular Properties

Compound Name1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
PubChem CID14847811
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione
SMILESC=CCc1cc(N2C(=O)CCC23CCC(=O)N3c2ccc(O)c(CC=C)c2)ccc1O
InChIInChI=1S/C25H26N2O4/c1-3-5-17-15-19(7-9-21(17)28)26-23(30)11-13-25(26)14-12-24(31)27(25)20-8-10-22(29)18(16-20)6-4-2/h3-4,7-10,15-16,28-29H,1-2,5-6,11-14H2
InChIKeyFCGMFXRAJQKCOO-UHFFFAOYSA-N
XLogP4.20
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The IUPAC name of 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione (CID 14847811) is 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione.
What is the SMILES notation for 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The canonical SMILES for 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione is C=CCc1cc(N2C(=O)CCC23CCC(=O)N3c2ccc(O)c(CC=C)c2)ccc1O.
What is the InChIKey of 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
The InChIKey is FCGMFXRAJQKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-5-17-15-19(7-9-21(17)28)26-23(30)11-13-25(26)14-12-24(31)27(25)20-8-10-22(29)18(16-20)6-4-2/h3-4,7-10,15-16,28-29H,1-2,5-6,11-14H2.
What are the key properties of 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione?
1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione has a molecular weight of 418.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(4-hydroxy-3-prop-2-enylphenyl)-1,6-diazaspiro[4.4]nonane-2,7-dione is sourced from PubChem (CID 14847811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).