2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one

C21H41NO2 — CID 91713396

IUPAC2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one
SMILESCCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21(24)22-18-15-16-19-22/h20,23H,2-19H2,1H3
InChIKeySHRBLSVRSSRRDN-UHFFFAOYSA-N
MW339.56 g/mol
LogP5.45
Rot. Bonds15

About 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one

2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one (PubChem CID 91713396) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one
PubChem CID91713396
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Name2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one
SMILESCCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21(24)22-18-15-16-19-22/h20,23H,2-19H2,1H3
InChIKeySHRBLSVRSSRRDN-UHFFFAOYSA-N
XLogP5.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 55.45
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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N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
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3-Hydroxy-decanoic acid, pyrrolidide
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N-(2-hydroxypalmitoyl)succinimide
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N-hexadecyl-2-hydroxyhexadecanamide
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N-hexyl-2-hydroxyhexadecanamide
CID 129725913
1-octanol-N,N-dimethylformamide
CID 129864964
N,N'-dioctyl-alpha-hydroxy acetamide
CID 132993166
18-Oxo-18-(1-pyrrolidinyl)-7-octadecanol
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one (CID 91713396) is 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one is CCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one?
The InChIKey is SHRBLSVRSSRRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)21(24)22-18-15-16-19-22/h20,23H,2-19H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one?
2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one has a molecular weight of 339.56 g/mol, XLogP of 5.45, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-pyrrolidin-1-ylheptadecan-1-one is sourced from PubChem (CID 91713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).