7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one

C17H25NO2 — CID 10540364

IUPAC7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C17H25NO2/c19-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)18-13-5-6-14-18/h9-12,19H,1-8,13-14H2
InChIKeyXNERAYMSFNWDDU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.51
Rot. Bonds7

About 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one

7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one (PubChem CID 10540364) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
PubChem CID10540364
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one
SMILESO=C(CCCCCCc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C17H25NO2/c19-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)18-13-5-6-14-18/h9-12,19H,1-8,13-14H2
InChIKeyXNERAYMSFNWDDU-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-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The IUPAC name of 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one (CID 10540364) is 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one is O=C(CCCCCCc1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
The InChIKey is XNERAYMSFNWDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c19-16-11-9-15(10-12-16)7-3-1-2-4-8-17(20)18-13-5-6-14-18/h9-12,19H,1-8,13-14H2.
What are the key properties of 7-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one?
7-(4-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-(4-hydroxyphenyl)-1-pyrrolidin-1-ylheptan-1-one is sourced from PubChem (CID 10540364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).