1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine

C16H19NO — CID 174558264

IUPAC1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine
SMILESC1=C(CN2CCCC2)OC(c2ccccc2)=CC1
InChIInChI=1S/C16H19NO/c1-2-7-14(8-3-1)16-10-6-9-15(18-16)13-17-11-4-5-12-17/h1-3,7-10H,4-6,11-13H2
InChIKeyAQXQUBSZZNFUFQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.43
Rot. Bonds3

About 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine

1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine (PubChem CID 174558264) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine
PubChem CID174558264
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine
SMILESC1=C(CN2CCCC2)OC(c2ccccc2)=CC1
InChIInChI=1S/C16H19NO/c1-2-7-14(8-3-1)16-10-6-9-15(18-16)13-17-11-4-5-12-17/h1-3,7-10H,4-6,11-13H2
InChIKeyAQXQUBSZZNFUFQ-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine (CID 174558264) is 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine is C1=C(CN2CCCC2)OC(c2ccccc2)=CC1.
What is the InChIKey of 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine?
The InChIKey is AQXQUBSZZNFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-7-14(8-3-1)16-10-6-9-15(18-16)13-17-11-4-5-12-17/h1-3,7-10H,4-6,11-13H2.
What are the key properties of 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine?
1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine has a molecular weight of 241.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-phenyl-4H-pyran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 174558264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).