tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate

C14H19NO4 — CID 134964878

IUPACtert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C=C[C@H]1[C@@H]1CCC(=O)C1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(6-7-12(15)17)9-4-5-10(16)8-9/h6-7,9,11H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyMQMXNHNLNRCBOM-KOLCDFICSA-N
MW265.31 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate

tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate (PubChem CID 134964878) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate
PubChem CID134964878
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C=C[C@H]1[C@@H]1CCC(=O)C1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(6-7-12(15)17)9-4-5-10(16)8-9/h6-7,9,11H,4-5,8H2,1-3H3/t9-,11+/m1/s1
InChIKeyMQMXNHNLNRCBOM-KOLCDFICSA-N
XLogP2.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-5-oxo-2-[(2R)-4-oxooctan-2-yl]-2H-pyrrole-1-carboxylate
CID 134944108
tert-butyl (2R)-5-oxo-2-[(2R)-4-oxopentan-2-yl]-2H-pyrrole-1-carboxylate
CID 134964850
tert-butyl (2R)-2-[(1R)-cyclopent-2-en-1-yl]-5-oxo-2H-pyrrole-1-carboxylate
CID 101942295
tert-butyl (2R)-2-[(1S)-cyclopent-2-en-1-yl]-5-oxo-2H-pyrrole-1-carboxylate
CID 101942296
tert-butyl 5-oxo-2-[1-(3-oxocyclohexen-1-yl)propan-2-yl]-2H-pyrrole-1-carboxylate
CID 122207750
tert-butyl 5-oxo-2-[1-(3-oxocyclohexen-1-yl)pentan-2-yl]-2H-pyrrole-1-carboxylate
CID 122207751

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate (CID 134964878) is tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C=C[C@H]1[C@@H]1CCC(=O)C1.
What is the InChIKey of tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate?
The InChIKey is MQMXNHNLNRCBOM-KOLCDFICSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(6-7-12(15)17)9-4-5-10(16)8-9/h6-7,9,11H,4-5,8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate?
tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-5-oxo-2-[(1R)-3-oxocyclopentyl]-2H-pyrrole-1-carboxylate is sourced from PubChem (CID 134964878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).