2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one

C20H39NO2 — CID 91713398

IUPAC2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)20(23)21-17-14-15-18-21/h19,22H,2-18H2,1H3
InChIKeyMPIXMNJZPGMHDT-UHFFFAOYSA-N
MW325.54 g/mol
LogP5.06
Rot. Bonds14

About 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one

2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one (PubChem CID 91713398) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one
PubChem CID91713398
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one
SMILESCCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)20(23)21-17-14-15-18-21/h19,22H,2-18H2,1H3
InChIKeyMPIXMNJZPGMHDT-UHFFFAOYSA-N
XLogP5.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.06
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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CID 11440892
Hydroxycetyl hydroxyethylstearamide
CID 19982433
N-[3-(dimethylamino)propyl]-2-hydroxyoctadecanamide
CID 139986258
3-Hydroxy-decanoic acid, pyrrolidide
CID 91717714
N-(2-hydroxypalmitoyl)succinimide
CID 129646916
N-hexadecyl-2-hydroxyhexadecanamide
CID 129725909
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
CID 539064
1-Oxo-1-(1-pyrrolidinyl)-6-octadecanol
CID 574652

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one (CID 91713398) is 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one is CCCCCCCCCCCCCCC(O)C(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one?
The InChIKey is MPIXMNJZPGMHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(22)20(23)21-17-14-15-18-21/h19,22H,2-18H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one?
2-hydroxy-1-pyrrolidin-1-ylhexadecan-1-one has a molecular weight of 325.54 g/mol, XLogP of 5.06, 14 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-ylhexadecan-1-one is sourced from PubChem (CID 91713398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).