3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione

C29H33N3O6 — CID 142146107

IUPAC3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione
SMILESC=Cc1c(/C=C\C)c(C2=C(c3cn(CCOCCO)c4ccccc34)C(=O)NC2=O)cn1CCOCCO
InChIInChI=1S/C29H33N3O6/c1-3-7-20-22(18-31(24(20)4-2)10-14-37-16-12-33)26-27(29(36)30-28(26)35)23-19-32(11-15-38-17-13-34)25-9-6-5-8-21(23)25/h3-9,18-19,33-34H,2,10-17H2,1H3,(H,30,35,36)/b7-3-
InChIKeyVPOJERJIVQWXKY-CLTKARDFSA-N
MW519.60 g/mol
LogP2.70
Rot. Bonds14

About 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione

3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione (PubChem CID 142146107) has the molecular formula C29H33N3O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione
PubChem CID142146107
Molecular FormulaC29H33N3O6
Molecular Weight519.60 g/mol
Exact Mass519.24
IUPAC Name3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione
SMILESC=Cc1c(/C=C\C)c(C2=C(c3cn(CCOCCO)c4ccccc34)C(=O)NC2=O)cn1CCOCCO
InChIInChI=1S/C29H33N3O6/c1-3-7-20-22(18-31(24(20)4-2)10-14-37-16-12-33)26-27(29(36)30-28(26)35)23-19-32(11-15-38-17-13-34)25-9-6-5-8-21(23)25/h3-9,18-19,33-34H,2,10-17H2,1H3,(H,30,35,36)/b7-3-
InChIKeyVPOJERJIVQWXKY-CLTKARDFSA-N
XLogP2.70
TPSA114.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327930
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione
CID 144711421
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3,4-bis[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;3,4-bis(1H-indol-2-yl)pyrrole-2,5-dione
CID 70210567
2-[2-[3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxopyrrol-3-yl]indol-1-yl]ethoxy]ethyl acetate
CID 102019849
2-[3-[4-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]indol-1-yl]acetaldehyde
CID 11726026
3-phenyl-1-[2-[(E)-prop-1-enoxy]ethyl]indole
CID 134842217
3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
CID 69374015
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione (CID 142146107) is 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione is C=Cc1c(/C=C\C)c(C2=C(c3cn(CCOCCO)c4ccccc34)C(=O)NC2=O)cn1CCOCCO.
What is the InChIKey of 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione?
The InChIKey is VPOJERJIVQWXKY-CLTKARDFSA-N. The full InChI is InChI=1S/C29H33N3O6/c1-3-7-20-22(18-31(24(20)4-2)10-14-37-16-12-33)26-27(29(36)30-28(26)35)23-19-32(11-15-38-17-13-34)25-9-6-5-8-21(23)25/h3-9,18-19,33-34H,2,10-17H2,1H3,(H,30,35,36)/b7-3-.
What are the key properties of 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione?
3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione has a molecular weight of 519.60 g/mol, XLogP of 2.70, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethenyl-1-[2-(2-hydroxyethoxy)ethyl]-4-[(Z)-prop-1-enyl]pyrrol-3-yl]-4-[1-[2-(2-hydroxyethoxy)ethyl]indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 142146107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).