1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one

C24H30N2O4 — CID 143667433

IUPAC1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESC=CN(/C=C\C)CCCN1C(=O)C(O)=C(c2ccc(O)cc2)C1C(/C=C(\C)O)=C/C
InChIInChI=1S/C24H30N2O4/c1-5-13-25(7-3)14-8-15-26-22(18(6-2)16-17(4)27)21(23(29)24(26)30)19-9-11-20(28)12-10-19/h5-7,9-13,16,22,27-29H,3,8,14-15H2,1-2,4H3/b13-5-,17-16+,18-6+
InChIKeyBIVYTNYPEATULA-VOXTWKEPSA-N
MW410.51 g/mol
LogP4.65
Rot. Bonds9

About 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one

1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one (PubChem CID 143667433) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one
PubChem CID143667433
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one
SMILESC=CN(/C=C\C)CCCN1C(=O)C(O)=C(c2ccc(O)cc2)C1C(/C=C(\C)O)=C/C
InChIInChI=1S/C24H30N2O4/c1-5-13-25(7-3)14-8-15-26-22(18(6-2)16-17(4)27)21(23(29)24(26)30)19-9-11-20(28)12-10-19/h5-7,9-13,16,22,27-29H,3,8,14-15H2,1-2,4H3/b13-5-,17-16+,18-6+
InChIKeyBIVYTNYPEATULA-VOXTWKEPSA-N
XLogP4.65
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one (CID 143667433) is 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one is C=CN(/C=C\C)CCCN1C(=O)C(O)=C(c2ccc(O)cc2)C1C(/C=C(\C)O)=C/C.
What is the InChIKey of 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one?
The InChIKey is BIVYTNYPEATULA-VOXTWKEPSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-13-25(7-3)14-8-15-26-22(18(6-2)16-17(4)27)21(23(29)24(26)30)19-9-11-20(28)12-10-19/h5-7,9-13,16,22,27-29H,3,8,14-15H2,1-2,4H3/b13-5-,17-16+,18-6+.
What are the key properties of 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one?
1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one has a molecular weight of 410.51 g/mol, XLogP of 4.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[ethenyl-[(Z)-prop-1-enyl]amino]propyl]-4-hydroxy-2-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-3-(4-hydroxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 143667433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).