1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C16H24N2O — CID 102678031

IUPAC1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC1CC1c1ccc(CN2CCCC3CNCC32)o1
InChIInChI=1S/C16H24N2O/c1-11-7-14(11)16-5-4-13(19-16)10-18-6-2-3-12-8-17-9-15(12)18/h4-5,11-12,14-15,17H,2-3,6-10H2,1H3
InChIKeyXTERAMUXLSULNT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds3

About 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678031) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678031
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCC1CC1c1ccc(CN2CCCC3CNCC32)o1
InChIInChI=1S/C16H24N2O/c1-11-7-14(11)16-5-4-13(19-16)10-18-6-2-3-12-8-17-9-15(12)18/h4-5,11-12,14-15,17H,2-3,6-10H2,1H3
InChIKeyXTERAMUXLSULNT-UHFFFAOYSA-N
XLogP2.59
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678031) is 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is CC1CC1c1ccc(CN2CCCC3CNCC32)o1.
What is the InChIKey of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is XTERAMUXLSULNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-14(11)16-5-4-13(19-16)10-18-6-2-3-12-8-17-9-15(12)18/h4-5,11-12,14-15,17H,2-3,6-10H2,1H3.
What are the key properties of 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 260.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).