2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one

C19H37NO2 — CID 91713393

IUPAC2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one
SMILESCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)19(22)20-16-13-14-17-20/h18,21H,2-17H2,1H3
InChIKeyVPRCHLLZQNGORR-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.67
Rot. Bonds13

About 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one

2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one (PubChem CID 91713393) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one
PubChem CID91713393
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one
SMILESCCCCCCCCCCCCCC(O)C(=O)N1CCCC1
InChIInChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)19(22)20-16-13-14-17-20/h18,21H,2-17H2,1H3
InChIKeyVPRCHLLZQNGORR-UHFFFAOYSA-N
XLogP4.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.67
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
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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-ylpentadecan-1-one?
The IUPAC name of 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one (CID 91713393) is 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one.
What is the SMILES notation for 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one?
The canonical SMILES for 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one is CCCCCCCCCCCCCC(O)C(=O)N1CCCC1.
What is the InChIKey of 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one?
The InChIKey is VPRCHLLZQNGORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(21)19(22)20-16-13-14-17-20/h18,21H,2-17H2,1H3.
What are the key properties of 2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one?
2-hydroxy-1-pyrrolidin-1-ylpentadecan-1-one has a molecular weight of 311.51 g/mol, XLogP of 4.67, 13 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-ylpentadecan-1-one is sourced from PubChem (CID 91713393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).