1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]

C18H19NO — CID 3068901

IUPAC1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
SMILESCN1CCCC12OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO/c1-19-13-7-12-18(19)16-11-6-5-10-15(16)17(20-18)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKeyKSSVYIULEWAKRE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.68
Rot. Bonds1

About 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]

1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine] (PubChem CID 3068901) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine].

Molecular Properties

Compound Name1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
PubChem CID3068901
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]
SMILESCN1CCCC12OC(c1ccccc1)c1ccccc12
InChIInChI=1S/C18H19NO/c1-19-13-7-12-18(19)16-11-6-5-10-15(16)17(20-18)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKeyKSSVYIULEWAKRE-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]?
The IUPAC name of 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine] (CID 3068901) is 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine].
What is the SMILES notation for 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]?
The canonical SMILES for 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine] is CN1CCCC12OC(c1ccccc1)c1ccccc12.
What is the InChIKey of 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]?
The InChIKey is KSSVYIULEWAKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-13-7-12-18(19)16-11-6-5-10-15(16)17(20-18)14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3.
What are the key properties of 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine]?
1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine] has a molecular weight of 265.36 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-phenylspiro[1H-2-benzofuran-3,2'-pyrrolidine] is sourced from PubChem (CID 3068901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).