(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione

C12H20N2O2 — CID 71759516

IUPAC(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione
SMILESCC[C@H]1C/C=C\CCNC(=O)CCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-2-10-6-4-3-5-9-13-11(15)7-8-12(16)14-10/h3-4,10H,2,5-9H2,1H3,(H,13,15)(H,14,16)/b4-3-/t10-/m0/s1
InChIKeyGFSGVEMMBIHCBJ-XOULXFPDSA-N
MW224.30 g/mol
LogP1.13
Rot. Bonds1

About (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione

(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione (PubChem CID 71759516) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione.

Molecular Properties

Compound Name(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione
PubChem CID71759516
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione
SMILESCC[C@H]1C/C=C\CCNC(=O)CCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-2-10-6-4-3-5-9-13-11(15)7-8-12(16)14-10/h3-4,10H,2,5-9H2,1H3,(H,13,15)(H,14,16)/b4-3-/t10-/m0/s1
InChIKeyGFSGVEMMBIHCBJ-XOULXFPDSA-N
XLogP1.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione?
The IUPAC name of (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione (CID 71759516) is (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione.
What is the SMILES notation for (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione?
The canonical SMILES for (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione is CC[C@H]1C/C=C\CCNC(=O)CCC(=O)N1.
What is the InChIKey of (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione?
The InChIKey is GFSGVEMMBIHCBJ-XOULXFPDSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-10-6-4-3-5-9-13-11(15)7-8-12(16)14-10/h3-4,10H,2,5-9H2,1H3,(H,13,15)(H,14,16)/b4-3-/t10-/m0/s1.
What are the key properties of (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione?
(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione is sourced from PubChem (CID 71759516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).