1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one

C11H19NO2 — CID 167428096

IUPAC1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one
SMILESCC(C)C12CCCOC1CC(=O)N2C
InChIInChI=1S/C11H19NO2/c1-8(2)11-5-4-6-14-9(11)7-10(13)12(11)3/h8-9H,4-7H2,1-3H3
InChIKeyUMLOHUCVGSPXGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds1

About 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one

1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one (PubChem CID 167428096) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one.

Molecular Properties

Compound Name1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one
PubChem CID167428096
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one
SMILESCC(C)C12CCCOC1CC(=O)N2C
InChIInChI=1S/C11H19NO2/c1-8(2)11-5-4-6-14-9(11)7-10(13)12(11)3/h8-9H,4-7H2,1-3H3
InChIKeyUMLOHUCVGSPXGG-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-7a-propan-2-yl-3a,4,5,7-tetrahydro-3H-pyrano[3,4-b]pyrrol-2-one
CID 167428111
2-Methyl-1-propan-2-yl-6-oxa-2-azaspiro[4.5]decan-3-one
CID 167428161
3-Methyl-7a-propan-2-yl-1,3,3a,5,6,7-hexahydropyrano[3,2-b]pyrrol-2-one
CID 169610779

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one?
The IUPAC name of 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one (CID 167428096) is 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one.
What is the SMILES notation for 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one?
The canonical SMILES for 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one is CC(C)C12CCCOC1CC(=O)N2C.
What is the InChIKey of 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one?
The InChIKey is UMLOHUCVGSPXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)11-5-4-6-14-9(11)7-10(13)12(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one?
1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7a-propan-2-yl-3a,5,6,7-tetrahydro-3H-pyrano[3,2-b]pyrrol-2-one is sourced from PubChem (CID 167428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).