spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]

C12H17NO — CID 172575182

IUPACspiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESC1=CCC2C(=C1)OCC21CCNCC1
InChIInChI=1S/C12H17NO/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-2,4,10,13H,3,5-9H2
InChIKeyWCNHXVYAIJDICK-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.85
Rot. Bonds

About spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]

spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine] (PubChem CID 172575182) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Namespiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]
PubChem CID172575182
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namespiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESC1=CCC2C(=C1)OCC21CCNCC1
InChIInChI=1S/C12H17NO/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-2,4,10,13H,3,5-9H2
InChIKeyWCNHXVYAIJDICK-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine] (CID 172575182) is spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine] is C1=CCC2C(=C1)OCC21CCNCC1.
What is the InChIKey of spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is WCNHXVYAIJDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-4-11-10(3-1)12(9-14-11)5-7-13-8-6-12/h1-2,4,10,13H,3,5-9H2.
What are the key properties of spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine]?
spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 191.27 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3a,4-dihydro-2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 172575182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).