1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

C16H23NO2 — CID 11299968

IUPAC1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-3-6-15(17-11-4-5-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyHWYVHRCKBXGZLV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.14
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one

1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (PubChem CID 11299968) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
PubChem CID11299968
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(OC)cc1)N1CCCC1
InChIInChI=1S/C16H23NO2/c1-3-6-15(17-11-4-5-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyHWYVHRCKBXGZLV-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one (CID 11299968) is 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is CCCC(C(=O)c1ccc(OC)cc1)N1CCCC1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
The InChIKey is HWYVHRCKBXGZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-6-15(17-11-4-5-12-17)16(18)13-7-9-14(19-2)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one?
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 11299968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).