ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

C11H15N3O3 — CID 137007604

IUPACethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-2-17-11(16)8-4-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyLFQAHHSVTNTTJA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.30
Rot. Bonds3

About ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 137007604) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID137007604
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Nameethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H15N3O3/c1-2-17-11(16)8-4-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyLFQAHHSVTNTTJA-UHFFFAOYSA-N
XLogP0.30
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136880683
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
4-methoxy-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958390
2-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136959003
methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989661
ethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989681
ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989682
ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989683
ethyl 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 136989684
ethyl 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
CID 136989713
methyl 1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 137007532
methyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 137007533

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 137007604) is ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is LFQAHHSVTNTTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-11(16)8-4-3-5-14(8)9-6-10(15)13-7-12-9/h6-8H,2-5H2,1H3,(H,12,13,15).
What are the key properties of ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 137007604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).