1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]

C24H23NO — CID 71377991

IUPAC1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
SMILESc1ccc(CCN2CCC3(C2)c2ccccc2Oc2ccccc23)cc1
InChIInChI=1S/C24H23NO/c1-2-8-19(9-3-1)14-16-25-17-15-24(18-25)20-10-4-6-12-22(20)26-23-13-7-5-11-21(23)24/h1-13H,14-18H2
InChIKeyXILBBVBCGBLOSY-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.03
Rot. Bonds3

About 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]

1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene] (PubChem CID 71377991) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene].

Molecular Properties

Compound Name1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
PubChem CID71377991
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC Name1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]
SMILESc1ccc(CCN2CCC3(C2)c2ccccc2Oc2ccccc23)cc1
InChIInChI=1S/C24H23NO/c1-2-8-19(9-3-1)14-16-25-17-15-24(18-25)20-10-4-6-12-22(20)26-23-13-7-5-11-21(23)24/h1-13H,14-18H2
InChIKeyXILBBVBCGBLOSY-UHFFFAOYSA-N
XLogP5.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 54482081
(4R)-1-ethyl-7-(2-phenylethyl)-1,7-diazaspiro[3.4]octane
CID 97397493
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
CID 70578492
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
3-phenyl-5-[[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methyl]-1,2,4-oxadiazole
CID 28739652
4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118562539
methane;4-(2-phenylethyl)morpholine
CID 143698819
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]?
The IUPAC name of 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene] (CID 71377991) is 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene].
What is the SMILES notation for 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]?
The canonical SMILES for 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene] is c1ccc(CCN2CCC3(C2)c2ccccc2Oc2ccccc23)cc1.
What is the InChIKey of 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]?
The InChIKey is XILBBVBCGBLOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-2-8-19(9-3-1)14-16-25-17-15-24(18-25)20-10-4-6-12-22(20)26-23-13-7-5-11-21(23)24/h1-13H,14-18H2.
What are the key properties of 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene]?
1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene] has a molecular weight of 341.45 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)spiro[pyrrolidine-3,9'-xanthene] is sourced from PubChem (CID 71377991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).