2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one

C22H29NO3 — CID 91820254

IUPAC2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one
SMILESC/C=C(C)\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)C1=CC(CCO)NC1=O
InChIInChI=1S/C22H29NO3/c1-6-15(2)12-17(4)13-16(3)8-7-9-18(5)21(25)20-14-19(10-11-24)23-22(20)26/h6-9,12-14,19,24H,10-11H2,1-5H3,(H,23,26)/b8-7+,15-6-,16-13+,17-12+,18-9+
InChIKeyWLLPAVXJVZPQLM-JMMAOSCDSA-N
MW355.48 g/mol
LogP3.72
Rot. Bonds8

About 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one

2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one (PubChem CID 91820254) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one
PubChem CID91820254
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one
SMILESC/C=C(C)\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)C1=CC(CCO)NC1=O
InChIInChI=1S/C22H29NO3/c1-6-15(2)12-17(4)13-16(3)8-7-9-18(5)21(25)20-14-19(10-11-24)23-22(20)26/h6-9,12-14,19,24H,10-11H2,1-5H3,(H,23,26)/b8-7+,15-6-,16-13+,17-12+,18-9+
InChIKeyWLLPAVXJVZPQLM-JMMAOSCDSA-N
XLogP3.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one (CID 91820254) is 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one is C/C=C(C)\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)C1=CC(CCO)NC1=O.
What is the InChIKey of 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one?
The InChIKey is WLLPAVXJVZPQLM-JMMAOSCDSA-N. The full InChI is InChI=1S/C22H29NO3/c1-6-15(2)12-17(4)13-16(3)8-7-9-18(5)21(25)20-14-19(10-11-24)23-22(20)26/h6-9,12-14,19,24H,10-11H2,1-5H3,(H,23,26)/b8-7+,15-6-,16-13+,17-12+,18-9+.
What are the key properties of 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one?
2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one has a molecular weight of 355.48 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4-[(2E,4E,6E,8E,10Z)-2,6,8,10-tetramethyldodeca-2,4,6,8,10-pentaenoyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 91820254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).