1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane

C32H33NO4 — CID 144836742

IUPAC1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane
SMILESC=C1C/C1=C/C(CCCCN1C(=O)CCC1=O)=C(c1ccc(O)cc1)c1ccc(O)cc1.C=C1CC1=C
InChIInChI=1S/C27H27NO4.C5H6/c1-18-16-22(18)17-21(4-2-3-15-28-25(31)13-14-26(28)32)27(19-5-9-23(29)10-6-19)20-7-11-24(30)12-8-20;1-4-3-5(4)2/h5-12,17,29-30H,1-4,13-16H2;1-3H2/b22-17-;
InChIKeyGICPRDNGMJWUGY-JJECXDOKSA-N
MW495.62 g/mol
LogP6.61
Rot. Bonds8

About 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane

1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane (PubChem CID 144836742) has the molecular formula C32H33NO4 and a molecular weight of 495.62 g/mol. Its IUPAC name is 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane.

Molecular Properties

Compound Name1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane
PubChem CID144836742
Molecular FormulaC32H33NO4
Molecular Weight495.62 g/mol
Exact Mass495.24
IUPAC Name1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane
SMILESC=C1C/C1=C/C(CCCCN1C(=O)CCC1=O)=C(c1ccc(O)cc1)c1ccc(O)cc1.C=C1CC1=C
InChIInChI=1S/C27H27NO4.C5H6/c1-18-16-22(18)17-21(4-2-3-15-28-25(31)13-14-26(28)32)27(19-5-9-23(29)10-6-19)20-7-11-24(30)12-8-20;1-4-3-5(4)2/h5-12,17,29-30H,1-4,13-16H2;1-3H2/b22-17-;
InChIKeyGICPRDNGMJWUGY-JJECXDOKSA-N
XLogP6.61
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane?
The IUPAC name of 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane (CID 144836742) is 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane.
What is the SMILES notation for 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane?
The canonical SMILES for 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane is C=C1C/C1=C/C(CCCCN1C(=O)CCC1=O)=C(c1ccc(O)cc1)c1ccc(O)cc1.C=C1CC1=C.
What is the InChIKey of 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane?
The InChIKey is GICPRDNGMJWUGY-JJECXDOKSA-N. The full InChI is InChI=1S/C27H27NO4.C5H6/c1-18-16-22(18)17-21(4-2-3-15-28-25(31)13-14-26(28)32)27(19-5-9-23(29)10-6-19)20-7-11-24(30)12-8-20;1-4-3-5(4)2/h5-12,17,29-30H,1-4,13-16H2;1-3H2/b22-17-;.
What are the key properties of 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane?
1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane has a molecular weight of 495.62 g/mol, XLogP of 6.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,6-bis(4-hydroxyphenyl)-5-[(E)-(2-methylidenecyclopropylidene)methyl]hex-5-enyl]pyrrolidine-2,5-dione;1,2-dimethylidenecyclopropane is sourced from PubChem (CID 144836742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).