1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one

C16H23NO2 — CID 11459667

IUPAC1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-5-15(17-10-3-4-11-17)16(19)14-8-6-13(12-18)7-9-14/h6-9,15,18H,2-5,10-12H2,1H3
InChIKeyFDCLNKXJEZCPEW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.63
Rot. Bonds6

About 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one

1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11459667) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11459667
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(CO)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-2-5-15(17-10-3-4-11-17)16(19)14-8-6-13(12-18)7-9-14/h6-9,15,18H,2-5,10-12H2,1H3
InChIKeyFDCLNKXJEZCPEW-UHFFFAOYSA-N
XLogP2.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Hydroxyphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11311204
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one (CID 11459667) is 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(CO)cc1)N1CCCC1.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is FDCLNKXJEZCPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-5-15(17-10-3-4-11-17)16(19)14-8-6-13(12-18)7-9-14/h6-9,15,18H,2-5,10-12H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one?
1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).