1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole

C8H15NO — CID 90260559

IUPAC1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole
SMILESCN1CCC2COCCC21
InChIInChI=1S/C8H15NO/c1-9-4-2-7-6-10-5-3-8(7)9/h7-8H,2-6H2,1H3
InChIKeyGYODPVZQTHHTTM-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.73
Rot. Bonds

About 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole

1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole (PubChem CID 90260559) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole.

Molecular Properties

Compound Name1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole
PubChem CID90260559
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole
SMILESCN1CCC2COCCC21
InChIInChI=1S/C8H15NO/c1-9-4-2-7-6-10-5-3-8(7)9/h7-8H,2-6H2,1H3
InChIKeyGYODPVZQTHHTTM-UHFFFAOYSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole?
The IUPAC name of 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole (CID 90260559) is 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole.
What is the SMILES notation for 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole?
The canonical SMILES for 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole is CN1CCC2COCCC21.
What is the InChIKey of 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole?
The InChIKey is GYODPVZQTHHTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-9-4-2-7-6-10-5-3-8(7)9/h7-8H,2-6H2,1H3.
What are the key properties of 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole?
1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole has a molecular weight of 141.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrano[4,3-b]pyrrole is sourced from PubChem (CID 90260559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).