spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine

C11H19NO3 — CID 144594097

IUPACspiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine
SMILESNCC1OCC2OC3(CCCO3)CCC12
InChIInChI=1S/C11H19NO3/c12-6-9-8-2-4-11(3-1-5-14-11)15-10(8)7-13-9/h8-10H,1-7,12H2
InChIKeyPLBKFBINDLACRL-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.65
Rot. Bonds1

About spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine

spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine (PubChem CID 144594097) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine.

Molecular Properties

Compound Namespiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine
PubChem CID144594097
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namespiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine
SMILESNCC1OCC2OC3(CCCO3)CCC12
InChIInChI=1S/C11H19NO3/c12-6-9-8-2-4-11(3-1-5-14-11)15-10(8)7-13-9/h8-10H,1-7,12H2
InChIKeyPLBKFBINDLACRL-UHFFFAOYSA-N
XLogP0.65
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine?
The IUPAC name of spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine (CID 144594097) is spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine.
What is the SMILES notation for spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine?
The canonical SMILES for spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine is NCC1OCC2OC3(CCCO3)CCC12.
What is the InChIKey of spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine?
The InChIKey is PLBKFBINDLACRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c12-6-9-8-2-4-11(3-1-5-14-11)15-10(8)7-13-9/h8-10H,1-7,12H2.
What are the key properties of spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine?
spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine has a molecular weight of 213.28 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4,4a,5,7,7a-hexahydrofuro[3,4-b]pyran-2,2'-oxolane]-5-ylmethanamine is sourced from PubChem (CID 144594097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).