1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione

C11H14N2O3 — CID 168945666

IUPAC1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione
SMILESCOC1=C(N2CCC(=O)NC2=O)C=CCC1
InChIInChI=1S/C11H14N2O3/c1-16-9-5-3-2-4-8(9)13-7-6-10(14)12-11(13)15/h2,4H,3,5-7H2,1H3,(H,12,14,15)
InChIKeyADXWIPAWRUTUGB-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.14
Rot. Bonds2

About 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione

1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione (PubChem CID 168945666) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione
PubChem CID168945666
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione
SMILESCOC1=C(N2CCC(=O)NC2=O)C=CCC1
InChIInChI=1S/C11H14N2O3/c1-16-9-5-3-2-4-8(9)13-7-6-10(14)12-11(13)15/h2,4H,3,5-7H2,1H3,(H,12,14,15)
InChIKeyADXWIPAWRUTUGB-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione (CID 168945666) is 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione is COC1=C(N2CCC(=O)NC2=O)C=CCC1.
What is the InChIKey of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione?
The InChIKey is ADXWIPAWRUTUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-9-5-3-2-4-8(9)13-7-6-10(14)12-11(13)15/h2,4H,3,5-7H2,1H3,(H,12,14,15).
What are the key properties of 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione?
1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-1,5-dien-1-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 168945666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).