(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione

C10H8N2O2 — CID 143986561

IUPAC(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2/c([nH]1)=C\C=C/C=C\C=2
InChIInChI=1S/C10H8N2O2/c13-9-7-5-3-1-2-4-6-8(7)11-10(14)12-9/h1-6H,(H2,11,12,13,14)
InChIKeyGOPGPSLXHCINIE-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.25
Rot. Bonds

About (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione

(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione (PubChem CID 143986561) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione
PubChem CID143986561
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2/c([nH]1)=C\C=C/C=C\C=2
InChIInChI=1S/C10H8N2O2/c13-9-7-5-3-1-2-4-6-8(7)11-10(14)12-9/h1-6H,(H2,11,12,13,14)
InChIKeyGOPGPSLXHCINIE-UHFFFAOYSA-N
XLogP-1.25
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione?
The IUPAC name of (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione (CID 143986561) is (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione.
What is the SMILES notation for (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione?
The canonical SMILES for (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2/c([nH]1)=C\C=C/C=C\C=2.
What is the InChIKey of (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione?
The InChIKey is GOPGPSLXHCINIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-7-5-3-1-2-4-6-8(7)11-10(14)12-9/h1-6H,(H2,11,12,13,14).
What are the key properties of (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione?
(4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione has a molecular weight of 188.19 g/mol, XLogP of -1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aE,6Z,8Z,10E)-1H-cycloocta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 143986561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).