(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one

C23H29NO6 — CID 163025247

IUPAC(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one
SMILESCOC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C
InChIInChI=1S/C23H29NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h6,11-12,14-15,17-18H,5,7-10H2,1-4H3/b21-20+/t11-,12-,14-,15-,17-,18+/m0/s1
InChIKeyNYZQJBRFZJFPKA-AUJUDHOHSA-N
MW415.49 g/mol
LogP3.03
Rot. Bonds2

About (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one

(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one (PubChem CID 163025247) has the molecular formula C23H29NO6 and a molecular weight of 415.49 g/mol. Its IUPAC name is (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one.

Molecular Properties

Compound Name(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one
PubChem CID163025247
Molecular FormulaC23H29NO6
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one
SMILESCOC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C
InChIInChI=1S/C23H29NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h6,11-12,14-15,17-18H,5,7-10H2,1-4H3/b21-20+/t11-,12-,14-,15-,17-,18+/m0/s1
InChIKeyNYZQJBRFZJFPKA-AUJUDHOHSA-N
XLogP3.03
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
CID 5320745
(5E)-5-[(1S,2R,3S,11S)-11-[(1S)-1-hydroxy-5-methylhexyl]-3-methyl-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162959744
5-[(1R,2R,3S,11R,12R,15S,16R)-11-[(1S)-1-hydroxypropyl]-3-methyl-15-phenyl-5-oxa-10-azatetracyclo[8.7.0.02,6.012,16]heptadec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162794479
5-[11-(1-hydroxypropyl)-3-methyl-15-(3-pentylphenyl)-5-oxa-10-azatetracyclo[8.7.0.02,6.012,16]heptadec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162791169
(5Z)-5-[(1S,2R,3S,11S,13R)-11-[(1S)-2-cyclohexyl-1-hydroxyethyl]-3-methyl-13-[(3-pentylphenyl)methyl]-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162791182
(5E)-5-[(1S,2R,3S,11S,12S,15R,16R)-11-[(1S)-1-hydroxypropyl]-3-methyl-15-phenylspiro[5-oxa-10-azatetracyclo[8.7.0.02,6.012,16]heptadec-6-ene-14,1'-cyclopentane]-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162794351
5-[(1R,2S,3S,11S,13S)-11-[(1S)-1-hydroxy-5-methylhexyl]-3-methyl-13-[(3-pentylphenyl)methyl]-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162791165
5-[11-(1-hydroxy-2-spiro[4.4]nonan-4-ylethyl)-3-methyl-13-[(3-pentylphenyl)methyl]-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162791613
5-[13-benzyl-11-(2-cyclopentyl-1-hydroxyethyl)-3-methyl-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one
CID 162855363
5-[13-(1-hydroxy-5-methylhexyl)-3-methyl-5-oxa-14-azatetracyclo[10.2.2.02,6.09,14]hexadec-6-en-4-ylidene]-4-methoxy-3-methylfuran-2-one
CID 162810011
(5Z)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R)-3-methyl-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
CID 10336084
5-[(1S,2R,3S,11S,13S)-13-benzyl-11-[(1S)-1-hydroxy-2-[(4S)-spiro[4.4]nonan-4-yl]ethyl]-3-methyl-5-oxa-10-azatricyclo[8.4.0.02,6]tetradec-6-en-4-ylidene]-3-(hydroxymethyl)-4-methoxyfuran-2-one
CID 162794466

Frequently Asked Questions

What is the IUPAC name of (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one?
The IUPAC name of (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one (CID 163025247) is (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one.
What is the SMILES notation for (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one?
The canonical SMILES for (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one is COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@@H](CC[C@H]3[C@@H]3C[C@H](C)C(=O)O3)[C@H]2[C@@H]1C.
What is the InChIKey of (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one?
The InChIKey is NYZQJBRFZJFPKA-AUJUDHOHSA-N. The full InChI is InChI=1S/C23H29NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h6,11-12,14-15,17-18H,5,7-10H2,1-4H3/b21-20+/t11-,12-,14-,15-,17-,18+/m0/s1.
What are the key properties of (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one?
(5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one has a molecular weight of 415.49 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridec-6-en-4-ylidene]furan-2-one is sourced from PubChem (CID 163025247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).