7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H25NO2 — CID 155567382

IUPAC7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccc(O)c1)N1CCCC1
InChIInChI=1S/C17H25NO2/c19-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)18-12-5-6-13-18/h7,9-10,14,19H,1-6,8,11-13H2
InChIKeyHSRXKLZLOHGCBU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.51
Rot. Bonds7

About 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 155567382) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID155567382
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1cccc(O)c1)N1CCCC1
InChIInChI=1S/C17H25NO2/c19-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)18-12-5-6-13-18/h7,9-10,14,19H,1-6,8,11-13H2
InChIKeyHSRXKLZLOHGCBU-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 155567382) is 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1cccc(O)c1)N1CCCC1.
What is the InChIKey of 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is HSRXKLZLOHGCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-16-10-7-9-15(14-16)8-3-1-2-4-11-17(20)18-12-5-6-13-18/h7,9-10,14,19H,1-6,8,11-13H2.
What are the key properties of 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 155567382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).