1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one

C9H15NO2 — CID 167396196

IUPAC1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one
SMILESCC(C)N1CCC2COC(=O)C21
InChIInChI=1S/C9H15NO2/c1-6(2)10-4-3-7-5-12-9(11)8(7)10/h6-8H,3-5H2,1-2H3
InChIKeyQWCGWZZCMISHRX-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds1

About 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one

1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one (PubChem CID 167396196) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one.

Molecular Properties

Compound Name1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one
PubChem CID167396196
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one
SMILESCC(C)N1CCC2COC(=O)C21
InChIInChI=1S/C9H15NO2/c1-6(2)10-4-3-7-5-12-9(11)8(7)10/h6-8H,3-5H2,1-2H3
InChIKeyQWCGWZZCMISHRX-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one?
The IUPAC name of 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one (CID 167396196) is 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one.
What is the SMILES notation for 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one?
The canonical SMILES for 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one is CC(C)N1CCC2COC(=O)C21.
What is the InChIKey of 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one?
The InChIKey is QWCGWZZCMISHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(2)10-4-3-7-5-12-9(11)8(7)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one?
1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one has a molecular weight of 169.22 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,3a,4,6a-tetrahydro-2H-furo[3,4-b]pyrrol-6-one is sourced from PubChem (CID 167396196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).