1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

C31H33NO4 — CID 134291941

IUPAC1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C2CCCC2)C1=O
InChIInChI=1S/C31H33NO4/c1-3-8-28-26(4-2)30(35)32(31(28)36)20-7-11-27(21-9-5-6-10-21)29(22-12-16-24(33)17-13-22)23-14-18-25(34)19-15-23/h3-4,8,12-19,21,33-34H,2,5-7,9-11,20H2,1H3/b8-3-
InChIKeyNWFYNPVCGQIUIZ-BAQGIRSFSA-N
MW483.61 g/mol
LogP6.30
Rot. Bonds9

About 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 134291941) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID134291941
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Name1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C2CCCC2)C1=O
InChIInChI=1S/C31H33NO4/c1-3-8-28-26(4-2)30(35)32(31(28)36)20-7-11-27(21-9-5-6-10-21)29(22-12-16-24(33)17-13-22)23-14-18-25(34)19-15-23/h3-4,8,12-19,21,33-34H,2,5-7,9-11,20H2,1H3/b8-3-
InChIKeyNWFYNPVCGQIUIZ-BAQGIRSFSA-N
XLogP6.30
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 134291941) is 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is C=CC1=C(/C=C\C)C(=O)N(CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C2CCCC2)C1=O.
What is the InChIKey of 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is NWFYNPVCGQIUIZ-BAQGIRSFSA-N. The full InChI is InChI=1S/C31H33NO4/c1-3-8-28-26(4-2)30(35)32(31(28)36)20-7-11-27(21-9-5-6-10-21)29(22-12-16-24(33)17-13-22)23-14-18-25(34)19-15-23/h3-4,8,12-19,21,33-34H,2,5-7,9-11,20H2,1H3/b8-3-.
What are the key properties of 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 483.61 g/mol, XLogP of 6.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 134291941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).