1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one

C10H17NO2 — CID 167428029

IUPAC1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one
SMILESCC(C)C12COCC1CC(=O)N2C
InChIInChI=1S/C10H17NO2/c1-7(2)10-6-13-5-8(10)4-9(12)11(10)3/h7-8H,4-6H2,1-3H3
InChIKeyPCKWJDODFOZAGL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.89
Rot. Bonds1

About 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one

1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one (PubChem CID 167428029) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one.

Molecular Properties

Compound Name1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one
PubChem CID167428029
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one
SMILESCC(C)C12COCC1CC(=O)N2C
InChIInChI=1S/C10H17NO2/c1-7(2)10-6-13-5-8(10)4-9(12)11(10)3/h7-8H,4-6H2,1-3H3
InChIKeyPCKWJDODFOZAGL-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one?
The IUPAC name of 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one (CID 167428029) is 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one.
What is the SMILES notation for 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one?
The canonical SMILES for 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one is CC(C)C12COCC1CC(=O)N2C.
What is the InChIKey of 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one?
The InChIKey is PCKWJDODFOZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(2)10-6-13-5-8(10)4-9(12)11(10)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one?
1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6a-propan-2-yl-3,3a,4,6-tetrahydrofuro[3,4-b]pyrrol-2-one is sourced from PubChem (CID 167428029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).