3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C14H12N2O3 — CID 71535148

IUPAC3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C14H12N2O3/c17-12(9-5-2-1-3-6-9)16-13(18)10-7-4-8-11(10)15-14(16)19/h1-3,5-6H,4,7-8H2,(H,15,19)
InChIKeyIHFVPLOCBWIKEG-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.71
Rot. Bonds1

About 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 71535148) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID71535148
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C14H12N2O3/c17-12(9-5-2-1-3-6-9)16-13(18)10-7-4-8-11(10)15-14(16)19/h1-3,5-6H,4,7-8H2,(H,15,19)
InChIKeyIHFVPLOCBWIKEG-UHFFFAOYSA-N
XLogP0.71
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 71535148) is 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is O=C(c1ccccc1)n1c(=O)[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is IHFVPLOCBWIKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-12(9-5-2-1-3-6-9)16-13(18)10-7-4-8-11(10)15-14(16)19/h1-3,5-6H,4,7-8H2,(H,15,19).
What are the key properties of 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 71535148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).