1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione

C11H12N2O2 — CID 176935129

IUPAC1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C1/C=CC(N2CCC(=O)NC2=O)=C1
InChIInChI=1S/C11H12N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h2-4,7H,5-6H2,1H3,(H,12,14,15)/b8-2-
InChIKeyLFCQGSQXAQRNAY-WAPJZHGLSA-N
MW204.23 g/mol
LogP1.33
Rot. Bonds1

About 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione

1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione (PubChem CID 176935129) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
PubChem CID176935129
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
SMILESC/C=C1/C=CC(N2CCC(=O)NC2=O)=C1
InChIInChI=1S/C11H12N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h2-4,7H,5-6H2,1H3,(H,12,14,15)/b8-2-
InChIKeyLFCQGSQXAQRNAY-WAPJZHGLSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione (CID 176935129) is 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione is C/C=C1/C=CC(N2CCC(=O)NC2=O)=C1.
What is the InChIKey of 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
The InChIKey is LFCQGSQXAQRNAY-WAPJZHGLSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h2-4,7H,5-6H2,1H3,(H,12,14,15)/b8-2-.
What are the key properties of 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione?
1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176935129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).