(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione

C17H25NO3 — CID 69254193

IUPAC(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione
SMILESC=CC/C1=C2\OC(=O)C(=O)N2CCCCCCCCCC1
InChIInChI=1S/C17H25NO3/c1-2-11-14-12-9-7-5-3-4-6-8-10-13-18-15(19)17(20)21-16(14)18/h2H,1,3-13H2/b16-14+
InChIKeyWLVBJYUGDZGFAJ-JQIJEIRASA-N
MW291.39 g/mol
LogP3.68
Rot. Bonds2

About (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione

(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione (PubChem CID 69254193) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione.

Molecular Properties

Compound Name(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione
PubChem CID69254193
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione
SMILESC=CC/C1=C2\OC(=O)C(=O)N2CCCCCCCCCC1
InChIInChI=1S/C17H25NO3/c1-2-11-14-12-9-7-5-3-4-6-8-10-13-18-15(19)17(20)21-16(14)18/h2H,1,3-13H2/b16-14+
InChIKeyWLVBJYUGDZGFAJ-JQIJEIRASA-N
XLogP3.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione?
The IUPAC name of (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione (CID 69254193) is (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione.
What is the SMILES notation for (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione?
The canonical SMILES for (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione is C=CC/C1=C2\OC(=O)C(=O)N2CCCCCCCCCC1.
What is the InChIKey of (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione?
The InChIKey is WLVBJYUGDZGFAJ-JQIJEIRASA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-11-14-12-9-7-5-3-4-6-8-10-13-18-15(19)17(20)21-16(14)18/h2H,1,3-13H2/b16-14+.
What are the key properties of (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione?
(12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione has a molecular weight of 291.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-12-prop-2-enyl-14-oxa-1-azabicyclo[11.3.0]hexadec-12-ene-15,16-dione is sourced from PubChem (CID 69254193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).