15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one

C25H41NO2 — CID 11794613

IUPAC15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
SMILESO=C(CCCCCCCCCCCCCCc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C25H41NO2/c27-24-19-17-23(18-20-24)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(28)26-21-13-14-22-26/h17-20,27H,1-16,21-22H2
InChIKeySRRPYDDTMFRVSQ-UHFFFAOYSA-N
MW387.61 g/mol
LogP6.63
Rot. Bonds15

About 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one

15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one (PubChem CID 11794613) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one.

Molecular Properties

Compound Name15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
PubChem CID11794613
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Name15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one
SMILESO=C(CCCCCCCCCCCCCCc1ccc(O)cc1)N1CCCC1
InChIInChI=1S/C25H41NO2/c27-24-19-17-23(18-20-24)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(28)26-21-13-14-22-26/h17-20,27H,1-16,21-22H2
InChIKeySRRPYDDTMFRVSQ-UHFFFAOYSA-N
XLogP6.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 56.63
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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Related Compounds

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1,12-bis(azonan-1-yl)dodecane-1,12-dione
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5-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylpentan-1-one
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Frequently Asked Questions

What is the IUPAC name of 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The IUPAC name of 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one (CID 11794613) is 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one.
What is the SMILES notation for 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The canonical SMILES for 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one is O=C(CCCCCCCCCCCCCCc1ccc(O)cc1)N1CCCC1.
What is the InChIKey of 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
The InChIKey is SRRPYDDTMFRVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO2/c27-24-19-17-23(18-20-24)15-11-9-7-5-3-1-2-4-6-8-10-12-16-25(28)26-21-13-14-22-26/h17-20,27H,1-16,21-22H2.
What are the key properties of 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one?
15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one has a molecular weight of 387.61 g/mol, XLogP of 6.63, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-hydroxyphenyl)-1-pyrrolidin-1-ylpentadecan-1-one is sourced from PubChem (CID 11794613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).