(9E)-1,6-diazacyclododec-9-ene-2,5-dione

C10H16N2O2 — CID 71759653

IUPAC(9E)-1,6-diazacyclododec-9-ene-2,5-dione
SMILESO=C1CCC(=O)NCC/C=C/CCN1
InChIInChI=1S/C10H16N2O2/c13-9-5-6-10(14)12-8-4-2-1-3-7-11-9/h1-2H,3-8H2,(H,11,13)(H,12,14)/b2-1+
InChIKeyPWDYRPNJYPIRAH-OWOJBTEDSA-N
MW196.25 g/mol
LogP0.35
Rot. Bonds

About (9E)-1,6-diazacyclododec-9-ene-2,5-dione

(9E)-1,6-diazacyclododec-9-ene-2,5-dione (PubChem CID 71759653) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (9E)-1,6-diazacyclododec-9-ene-2,5-dione.

Molecular Properties

Compound Name(9E)-1,6-diazacyclododec-9-ene-2,5-dione
PubChem CID71759653
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(9E)-1,6-diazacyclododec-9-ene-2,5-dione
SMILESO=C1CCC(=O)NCC/C=C/CCN1
InChIInChI=1S/C10H16N2O2/c13-9-5-6-10(14)12-8-4-2-1-3-7-11-9/h1-2H,3-8H2,(H,11,13)(H,12,14)/b2-1+
InChIKeyPWDYRPNJYPIRAH-OWOJBTEDSA-N
XLogP0.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-N-propyldocosa-4,7,10,13,16,19-hexaenamide
CID 89501917
(4E,10E)-1,7-diazacyclododeca-4,10-diene-2,8-dione
CID 101452359
(4E,10E,16E)-1,7,13-triazacyclooctadeca-4,10,16-triene-2,8,14-trione
CID 102508681
(E)-N-butyldec-4-enamide
CID 134918141
(4E,10E,16E,22E)-1,7,13,19-tetrazacyclotetracosa-4,10,16,22-tetraene-2,8,14,20-tetrone
CID 177603159
(7R,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71758870
(3S,7S,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71758960
(7R,9Z,12S)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759072
(7R,9Z,12R)-7-ethyl-12-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759151
(3R,7S,9Z,12S)-7,12-diethyl-3-methyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759215
(3S,7R,9Z)-3-methyl-7-propan-2-yl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759466
(7S,9Z)-7-ethyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759516

Frequently Asked Questions

What is the IUPAC name of (9E)-1,6-diazacyclododec-9-ene-2,5-dione?
The IUPAC name of (9E)-1,6-diazacyclododec-9-ene-2,5-dione (CID 71759653) is (9E)-1,6-diazacyclododec-9-ene-2,5-dione.
What is the SMILES notation for (9E)-1,6-diazacyclododec-9-ene-2,5-dione?
The canonical SMILES for (9E)-1,6-diazacyclododec-9-ene-2,5-dione is O=C1CCC(=O)NCC/C=C/CCN1.
What is the InChIKey of (9E)-1,6-diazacyclododec-9-ene-2,5-dione?
The InChIKey is PWDYRPNJYPIRAH-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-5-6-10(14)12-8-4-2-1-3-7-11-9/h1-2H,3-8H2,(H,11,13)(H,12,14)/b2-1+.
What are the key properties of (9E)-1,6-diazacyclododec-9-ene-2,5-dione?
(9E)-1,6-diazacyclododec-9-ene-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-1,6-diazacyclododec-9-ene-2,5-dione is sourced from PubChem (CID 71759653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).