methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

C23H27NO6 — CID 10173181

IUPACmethyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
SMILESC/C=C(/C=C(C)/C=C/C=C/C=C(/C)C(=O)C1C/C(=C\C(=O)OC)NC1=O)C(=O)OC
InChIInChI=1S/C23H27NO6/c1-6-17(23(28)30-5)12-15(2)10-8-7-9-11-16(3)21(26)19-13-18(24-22(19)27)14-20(25)29-4/h6-12,14,19H,13H2,1-5H3,(H,24,27)/b9-7+,10-8+,15-12+,16-11-,17-6-,18-14+
InChIKeyAOKMHMDDNNTCPH-VQKHMSAFSA-N
MW413.47 g/mol
LogP2.87
Rot. Bonds8

About methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate (PubChem CID 10173181) has the molecular formula C23H27NO6 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate.

Molecular Properties

Compound Namemethyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
PubChem CID10173181
Molecular FormulaC23H27NO6
Molecular Weight413.47 g/mol
Exact Mass413.18
IUPAC Namemethyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
SMILESC/C=C(/C=C(C)/C=C/C=C/C=C(/C)C(=O)C1C/C(=C\C(=O)OC)NC1=O)C(=O)OC
InChIInChI=1S/C23H27NO6/c1-6-17(23(28)30-5)12-15(2)10-8-7-9-11-16(3)21(26)19-13-18(24-22(19)27)14-20(25)29-4/h6-12,14,19H,13H2,1-5H3,(H,24,27)/b9-7+,10-8+,15-12+,16-11-,17-6-,18-14+
InChIKeyAOKMHMDDNNTCPH-VQKHMSAFSA-N
XLogP2.87
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate with MolForge

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Related Compounds

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CID 135008119
methyl (2E,3E,5E,7E,9E)-2-ethylidene-11-[(1R,4R,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate
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methyl (2E,3E,5E,7E,9E)-12-cyano-2-ethylidene-4,10-dimethyl-11-oxododeca-3,5,7,9-tetraenoate
CID 11483406
methyl (2E,3E,5E,7Z,9Z)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 163027923
methyl (2E,3E,5E,7Z,9Z)-2-ethylidene-11-[(1R,4R,5S)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 177444322
methyl (2E,3E,5E,7Z,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
CID 139586298
tert-butyl (2E,3E,5E,7E)-2-ethylidene-4-methyl-9-oxonona-3,5,7-trienoate
CID 11436957
methyl (2E,3E,5E,9E)-2-ethylidene-11-[(1R,4S,5R)-4-hydroxy-4-methyl-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,9-trienoate
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methyl (2E,3E,5R,6S,7E,9E)-11-[(3aS,6R,6aR)-3a,6-dihydroxy-5-oxo-2,3,4,6a-tetrahydrofuro[3,2-b]pyrrol-6-yl]-2-ethylidene-5,6-dihydroxy-4,6,10-trimethyl-11-oxoundeca-3,7,9-trienoate
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methyl (2E,3E,5E,7E,9E,12E,14S)-16-[tert-butyl(diphenyl)silyl]oxy-12-cyano-2-ethylidene-4,10-dimethyl-11-oxo-14-triethylsilyloxyhexadeca-3,5,7,9,12-pentaenoate
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CID 177478152

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate?
The IUPAC name of methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate (CID 10173181) is methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate.
What is the SMILES notation for methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate?
The canonical SMILES for methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate is C/C=C(/C=C(C)/C=C/C=C/C=C(/C)C(=O)C1C/C(=C\C(=O)OC)NC1=O)C(=O)OC.
What is the InChIKey of methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate?
The InChIKey is AOKMHMDDNNTCPH-VQKHMSAFSA-N. The full InChI is InChI=1S/C23H27NO6/c1-6-17(23(28)30-5)12-15(2)10-8-7-9-11-16(3)21(26)19-13-18(24-22(19)27)14-20(25)29-4/h6-12,14,19H,13H2,1-5H3,(H,24,27)/b9-7+,10-8+,15-12+,16-11-,17-6-,18-14+.
What are the key properties of methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate?
methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate has a molecular weight of 413.47 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,3E,5E,7E,9Z)-2-ethylidene-11-[(5E)-5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate is sourced from PubChem (CID 10173181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).