(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione

C16H23NO5 — CID 16758337

IUPAC(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
SMILESC[C@H]1/C=C\CC(=O)OC[C@H](C)C(=O)N2CCC[C@@H]2C(=O)OC1
InChIInChI=1S/C16H23NO5/c1-11-5-3-7-14(18)21-10-12(2)15(19)17-8-4-6-13(17)16(20)22-9-11/h3,5,11-13H,4,6-10H2,1-2H3/b5-3-/t11-,12-,13+/m0/s1
InChIKeyBBBADAQSTKYQGG-FMYDZJLYSA-N
MW309.36 g/mol
LogP1.30
Rot. Bonds

About (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione

(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione (PubChem CID 16758337) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione.

Molecular Properties

Compound Name(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
PubChem CID16758337
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
SMILESC[C@H]1/C=C\CC(=O)OC[C@H](C)C(=O)N2CCC[C@@H]2C(=O)OC1
InChIInChI=1S/C16H23NO5/c1-11-5-3-7-14(18)21-10-12(2)15(19)17-8-4-6-13(17)16(20)22-9-11/h3,5,11-13H,4,6-10H2,1-2H3/b5-3-/t11-,12-,13+/m0/s1
InChIKeyBBBADAQSTKYQGG-FMYDZJLYSA-N
XLogP1.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione 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

(4Z,6S,7R,12Z,14R,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758248
(4Z,6R,7R,12Z,14R,18R)-7-methoxy-6,14-dimethyl-9,16-dioxa-1-azabicyclo[16.3.0]henicosa-4,12-diene-2,10,17-trione
CID 16758263
(4Z,6R,7R,11S,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 16758277
(4Z,6R,7R,11R,15R)-6-methoxy-7,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 16758278
(4Z,6R,7S,12Z,14S,15R,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758279
(4Z,6R,7S,12Z,14S,15S,19R)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 16758281
(3S,8Z,10R,11S,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758335
(3S,8Z,10R,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione
CID 16758336
(3S,8Z,10S,11R,15R)-11-methoxy-3,10-dimethyl-5,13-dioxa-1-azabicyclo[13.3.0]octadec-8-ene-2,6,14-trione
CID 16758338
(4Z,6R,7R,11S,14S,18R)-7-methoxy-6,11,14-trimethyl-9,16-dioxa-1,12-diazabicyclo[16.3.0]henicos-4-ene-2,10,13,17-tetrone
CID 16758342
(4E,6R,7S,12E,14R,15S,19S)-7,15-dimethoxy-6,14-dimethyl-9,17-dioxa-1-azabicyclo[17.3.0]docosa-4,12-diene-2,10,18-trione
CID 6419584
(4E,6R,7S,11S,15S)-7-methoxy-6,11-dimethyl-9,13-dioxa-1-azabicyclo[13.3.0]octadec-4-ene-2,10,14-trione
CID 6419614

Frequently Asked Questions

What is the IUPAC name of (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione?
The IUPAC name of (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione (CID 16758337) is (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione.
What is the SMILES notation for (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione?
The canonical SMILES for (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione is C[C@H]1/C=C\CC(=O)OC[C@H](C)C(=O)N2CCC[C@@H]2C(=O)OC1.
What is the InChIKey of (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione?
The InChIKey is BBBADAQSTKYQGG-FMYDZJLYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-11-5-3-7-14(18)21-10-12(2)15(19)17-8-4-6-13(17)16(20)22-9-11/h3,5,11-13H,4,6-10H2,1-2H3/b5-3-/t11-,12-,13+/m0/s1.
What are the key properties of (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione?
(3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione has a molecular weight of 309.36 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,8Z,10S,14R)-3,10-dimethyl-5,12-dioxa-1-azabicyclo[12.3.0]heptadec-8-ene-2,6,13-trione is sourced from PubChem (CID 16758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).