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

C15H23NO — CID 130310608

IUPAC1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCC1C=CC=CC12
InChIInChI=1S/C15H23NO/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15/h3-6,12-14H,7-11H2,1-2H3
InChIKeyVOVHTUNMWUGFNO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.62
Rot. Bonds1

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

1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (PubChem CID 130310608) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
PubChem CID130310608
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]
SMILESCC(C)N1CCC2(CC1)OCC1C=CC=CC12
InChIInChI=1S/C15H23NO/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15/h3-6,12-14H,7-11H2,1-2H3
InChIKeyVOVHTUNMWUGFNO-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] (CID 130310608) is 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is CC(C)N1CCC2(CC1)OCC1C=CC=CC12.
What is the InChIKey of 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is VOVHTUNMWUGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)16-9-7-15(8-10-16)14-6-4-3-5-13(14)11-17-15/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine]?
1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 233.36 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-propan-2-ylspiro[3a,7a-dihydro-1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 130310608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).