2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole

C17H21NO3 — CID 10902256

IUPAC2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole
SMILESCOC1C[C@@H]2[C@@H](CO[C@H]2c2cc3ccccc3[nH]2)[C@H](C)O1
InChIInChI=1S/C17H21NO3/c1-10-13-9-20-17(12(13)8-16(19-2)21-10)15-7-11-5-3-4-6-14(11)18-15/h3-7,10,12-13,16-18H,8-9H2,1-2H3/t10-,12+,13-,16?,17+/m0/s1
InChIKeySXGFIJHXBLDGGZ-KLNBTKIRSA-N
MW287.36 g/mol
LogP3.25
Rot. Bonds2

About 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole

2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole (PubChem CID 10902256) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole.

Molecular Properties

Compound Name2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole
PubChem CID10902256
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole
SMILESCOC1C[C@@H]2[C@@H](CO[C@H]2c2cc3ccccc3[nH]2)[C@H](C)O1
InChIInChI=1S/C17H21NO3/c1-10-13-9-20-17(12(13)8-16(19-2)21-10)15-7-11-5-3-4-6-14(11)18-15/h3-7,10,12-13,16-18H,8-9H2,1-2H3/t10-,12+,13-,16?,17+/m0/s1
InChIKeySXGFIJHXBLDGGZ-KLNBTKIRSA-N
XLogP3.25
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole?
The IUPAC name of 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole (CID 10902256) is 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole.
What is the SMILES notation for 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole?
The canonical SMILES for 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole is COC1C[C@@H]2[C@@H](CO[C@H]2c2cc3ccccc3[nH]2)[C@H](C)O1.
What is the InChIKey of 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole?
The InChIKey is SXGFIJHXBLDGGZ-KLNBTKIRSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10-13-9-20-17(12(13)8-16(19-2)21-10)15-7-11-5-3-4-6-14(11)18-15/h3-7,10,12-13,16-18H,8-9H2,1-2H3/t10-,12+,13-,16?,17+/m0/s1.
What are the key properties of 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole?
2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole has a molecular weight of 287.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3aS,4S,7aR)-6-methoxy-4-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyran-1-yl]-1H-indole is sourced from PubChem (CID 10902256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).