tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate

C14H24N2O3 — CID 91142898

IUPACtert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCCC1C2CN(C)CC2C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O3/c1-6-11-9-7-15(5)8-10(9)12(17)16(11)13(18)19-14(2,3)4/h9-11H,6-8H2,1-5H3
InChIKeyABDANUHWMOQSGV-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate

tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (PubChem CID 91142898) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
PubChem CID91142898
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
SMILESCCC1C2CN(C)CC2C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O3/c1-6-11-9-7-15(5)8-10(9)12(17)16(11)13(18)19-14(2,3)4/h9-11H,6-8H2,1-5H3
InChIKeyABDANUHWMOQSGV-UHFFFAOYSA-N
XLogP1.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The IUPAC name of tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate (CID 91142898) is tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate.
What is the SMILES notation for tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The canonical SMILES for tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is CCC1C2CN(C)CC2C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
The InChIKey is ABDANUHWMOQSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-6-11-9-7-15(5)8-10(9)12(17)16(11)13(18)19-14(2,3)4/h9-11H,6-8H2,1-5H3.
What are the key properties of tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate?
tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethyl-2-methyl-4-oxo-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate is sourced from PubChem (CID 91142898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).