8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

C16H20N4O4 — CID 145257030

IUPAC8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESC=CCN1C(=O)C2(CCC=NO2)N(CC=C)C(=O)C12CCC=NO2
InChIInChI=1S/C16H20N4O4/c1-3-11-19-13(21)16(8-6-10-18-24-16)20(12-4-2)14(22)15(19)7-5-9-17-23-15/h3-4,9-10H,1-2,5-8,11-12H2
InChIKeyVWVIUTDOWHFMOR-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.01
Rot. Bonds4

About 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (PubChem CID 145257030) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.

Molecular Properties

Compound Name8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
PubChem CID145257030
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESC=CCN1C(=O)C2(CCC=NO2)N(CC=C)C(=O)C12CCC=NO2
InChIInChI=1S/C16H20N4O4/c1-3-11-19-13(21)16(8-6-10-18-24-16)20(12-4-2)14(22)15(19)7-5-9-17-23-15/h3-4,9-10H,1-2,5-8,11-12H2
InChIKeyVWVIUTDOWHFMOR-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8,16-Dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257006

Frequently Asked Questions

What is the IUPAC name of 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The IUPAC name of 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (CID 145257030) is 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.
What is the SMILES notation for 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The canonical SMILES for 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is C=CCN1C(=O)C2(CCC=NO2)N(CC=C)C(=O)C12CCC=NO2.
What is the InChIKey of 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The InChIKey is VWVIUTDOWHFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-11-19-13(21)16(8-6-10-18-24-16)20(12-4-2)14(22)15(19)7-5-9-17-23-15/h3-4,9-10H,1-2,5-8,11-12H2.
What are the key properties of 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione has a molecular weight of 332.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,16-bis(prop-2-enyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is sourced from PubChem (CID 145257030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).