1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine

C21H25NO — CID 23553213

IUPAC1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
SMILESc1ccc(Cc2ccc3c(c2)CCC(CN2CCCC2)O3)cc1
InChIInChI=1S/C21H25NO/c1-2-6-17(7-3-1)14-18-8-11-21-19(15-18)9-10-20(23-21)16-22-12-4-5-13-22/h1-3,6-8,11,15,20H,4-5,9-10,12-14,16H2
InChIKeyFUZJURBISTXEAR-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.07
Rot. Bonds4

About 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine

1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine (PubChem CID 23553213) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
PubChem CID23553213
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine
SMILESc1ccc(Cc2ccc3c(c2)CCC(CN2CCCC2)O3)cc1
InChIInChI=1S/C21H25NO/c1-2-6-17(7-3-1)14-18-8-11-21-19(15-18)9-10-20(23-21)16-22-12-4-5-13-22/h1-3,6-8,11,15,20H,4-5,9-10,12-14,16H2
InChIKeyFUZJURBISTXEAR-UHFFFAOYSA-N
XLogP4.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine (CID 23553213) is 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine is c1ccc(Cc2ccc3c(c2)CCC(CN2CCCC2)O3)cc1.
What is the InChIKey of 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine?
The InChIKey is FUZJURBISTXEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-2-6-17(7-3-1)14-18-8-11-21-19(15-18)9-10-20(23-21)16-22-12-4-5-13-22/h1-3,6-8,11,15,20H,4-5,9-10,12-14,16H2.
What are the key properties of 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine?
1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine has a molecular weight of 307.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-benzyl-3,4-dihydro-2H-chromen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 23553213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).