1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]

C13H19NO — CID 91338235

IUPAC1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)CC1C=CC=CC1O2
InChIInChI=1S/C13H19NO/c1-14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15-13/h2-5,11-12H,6-10H2,1H3
InChIKeyXYJPLKBWMJUBCD-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.98
Rot. Bonds

About 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]

1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine] (PubChem CID 91338235) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
PubChem CID91338235
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)CC1C=CC=CC1O2
InChIInChI=1S/C13H19NO/c1-14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15-13/h2-5,11-12H,6-10H2,1H3
InChIKeyXYJPLKBWMJUBCD-UHFFFAOYSA-N
XLogP1.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine] (CID 91338235) is 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine] is CN1CCC2(CC1)CC1C=CC=CC1O2.
What is the InChIKey of 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is XYJPLKBWMJUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-8-6-13(7-9-14)10-11-4-2-3-5-12(11)15-13/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine]?
1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 205.30 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3a,7a-dihydro-3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 91338235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).