2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one

C18H35NO2 — CID 91713395

IUPAC2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18(21)19-15-12-13-16-19/h17,20H,2-16H2,1H3
InChIKeyYAFUAFNEQZOVFQ-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.28
Rot. Bonds12

About 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one

2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one (PubChem CID 91713395) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
PubChem CID91713395
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18(21)19-15-12-13-16-19/h17,20H,2-16H2,1H3
InChIKeyYAFUAFNEQZOVFQ-UHFFFAOYSA-N
XLogP4.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.28
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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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-yltetradecan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one (CID 91713395) is 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one is CCCCCCCCCCCCC(O)C(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
The InChIKey is YAFUAFNEQZOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17(20)18(21)19-15-12-13-16-19/h17,20H,2-16H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
2-hydroxy-1-pyrrolidin-1-yltetradecan-1-one has a molecular weight of 297.48 g/mol, XLogP of 4.28, 12 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-yltetradecan-1-one is sourced from PubChem (CID 91713395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).