1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione

C11H14N2O2 — CID 58492898

IUPAC1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESCC[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h3-6,8-9H,2,7H2,1H3,(H,12,14,15)/t8-,9+/m1/s1
InChIKeyMPVAMAZKKXXEPM-BDAKNGLRSA-N
MW206.24 g/mol
LogP1.06
Rot. Bonds2

About 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione

1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione (PubChem CID 58492898) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione
PubChem CID58492898
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESCC[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1
InChIInChI=1S/C11H14N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h3-6,8-9H,2,7H2,1H3,(H,12,14,15)/t8-,9+/m1/s1
InChIKeyMPVAMAZKKXXEPM-BDAKNGLRSA-N
XLogP1.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione (CID 58492898) is 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione is CC[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The InChIKey is MPVAMAZKKXXEPM-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-8-3-4-9(7-8)13-6-5-10(14)12-11(13)15/h3-6,8-9H,2,7H2,1H3,(H,12,14,15)/t8-,9+/m1/s1.
What are the key properties of 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione?
1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-4-ethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58492898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).