5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]

C13H19NO — CID 123140503

IUPAC5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=C2C(=CC1)OCC21CCNCC1
InChIInChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3
InChIKeyXQADKDJQZQDICM-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.24
Rot. Bonds

About 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]

5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] (PubChem CID 123140503) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
PubChem CID123140503
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]
SMILESCC1C=C2C(=CC1)OCC21CCNCC1
InChIInChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3
InChIKeyXQADKDJQZQDICM-UHFFFAOYSA-N
XLogP2.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] (CID 123140503) is 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] is CC1C=C2C(=CC1)OCC21CCNCC1.
What is the InChIKey of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is XQADKDJQZQDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-2-3-12-11(8-10)13(9-15-12)4-6-14-7-5-13/h3,8,10,14H,2,4-7,9H2,1H3.
What are the key properties of 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine]?
5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylspiro[5,6-dihydro-2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 123140503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).