(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate

C13H19NO4 — CID 68958377

IUPAC(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCC3OCC(=O)C32)CC1
InChIInChI=1S/C13H19NO4/c1-8(2)13(4-5-13)18-12(16)14-6-3-10-11(14)9(15)7-17-10/h8,10-11H,3-7H2,1-2H3
InChIKeyMLGMSJGLVDHZPG-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.35
Rot. Bonds2

About (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate

(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate (PubChem CID 68958377) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate.

Molecular Properties

Compound Name(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
PubChem CID68958377
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
SMILESCC(C)C1(OC(=O)N2CCC3OCC(=O)C32)CC1
InChIInChI=1S/C13H19NO4/c1-8(2)13(4-5-13)18-12(16)14-6-3-10-11(14)9(15)7-17-10/h8,10-11H,3-7H2,1-2H3
InChIKeyMLGMSJGLVDHZPG-UHFFFAOYSA-N
XLogP1.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The IUPAC name of (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate (CID 68958377) is (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate.
What is the SMILES notation for (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The canonical SMILES for (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate is CC(C)C1(OC(=O)N2CCC3OCC(=O)C32)CC1.
What is the InChIKey of (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
The InChIKey is MLGMSJGLVDHZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(2)13(4-5-13)18-12(16)14-6-3-10-11(14)9(15)7-17-10/h8,10-11H,3-7H2,1-2H3.
What are the key properties of (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate?
(1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylcyclopropyl) 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate is sourced from PubChem (CID 68958377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).