5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione

C20H24N2O4 — CID 138509957

IUPAC5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(=O)C(C)(C2C=CCCC2)C1=O
InChIInChI=1S/C20H24N2O4/c1-5-10-14(6-2)16(23)13-22-18(25)20(3,15-11-8-7-9-12-15)17(24)21(4)19(22)26/h5-6,8,10-11,15H,1-2,7,9,12-13H2,3-4H3/b14-10+
InChIKeyUDUGMYANOKESMZ-GXDHUFHOSA-N
MW356.42 g/mol
LogP2.64
Rot. Bonds6

About 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione

5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 138509957) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID138509957
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(=O)C(C)(C2C=CCCC2)C1=O
InChIInChI=1S/C20H24N2O4/c1-5-10-14(6-2)16(23)13-22-18(25)20(3,15-11-8-7-9-12-15)17(24)21(4)19(22)26/h5-6,8,10-11,15H,1-2,7,9,12-13H2,3-4H3/b14-10+
InChIKeyUDUGMYANOKESMZ-GXDHUFHOSA-N
XLogP2.64
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 138509957) is 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione is C=C/C=C(\C=C)C(=O)CN1C(=O)N(C)C(=O)C(C)(C2C=CCCC2)C1=O.
What is the InChIKey of 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UDUGMYANOKESMZ-GXDHUFHOSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-10-14(6-2)16(23)13-22-18(25)20(3,15-11-8-7-9-12-15)17(24)21(4)19(22)26/h5-6,8,10-11,15H,1-2,7,9,12-13H2,3-4H3/b14-10+.
What are the key properties of 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione?
5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 356.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yl-1-[(3E)-3-ethenyl-2-oxohexa-3,5-dienyl]-3,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 138509957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).