spiro[3aH-2-benzofuran-3,4'-piperidine]

C12H15NO — CID 15390682

IUPACspiro[3aH-2-benzofuran-3,4'-piperidine]
SMILESC1=CC2=COC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2
InChIKeyAYVAHNPNGOGNDX-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.76
Rot. Bonds

About spiro[3aH-2-benzofuran-3,4'-piperidine]

spiro[3aH-2-benzofuran-3,4'-piperidine] (PubChem CID 15390682) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is spiro[3aH-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Namespiro[3aH-2-benzofuran-3,4'-piperidine]
PubChem CID15390682
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Namespiro[3aH-2-benzofuran-3,4'-piperidine]
SMILESC1=CC2=COC3(CCNCC3)C2C=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2
InChIKeyAYVAHNPNGOGNDX-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3aH-2-benzofuran-3,4'-piperidine]?
The IUPAC name of spiro[3aH-2-benzofuran-3,4'-piperidine] (CID 15390682) is spiro[3aH-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for spiro[3aH-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for spiro[3aH-2-benzofuran-3,4'-piperidine] is C1=CC2=COC3(CCNCC3)C2C=C1.
What is the InChIKey of spiro[3aH-2-benzofuran-3,4'-piperidine]?
The InChIKey is AYVAHNPNGOGNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,9,11,13H,5-8H2.
What are the key properties of spiro[3aH-2-benzofuran-3,4'-piperidine]?
spiro[3aH-2-benzofuran-3,4'-piperidine] has a molecular weight of 189.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3aH-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 15390682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).