3-hydroxy-1-pyrrolidin-1-yldodecan-1-one

C16H31NO2 — CID 91717749

IUPAC3-hydroxy-1-pyrrolidin-1-yldodecan-1-one
SMILESCCCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-11-15(18)14-16(19)17-12-9-10-13-17/h15,18H,2-14H2,1H3
InChIKeyVPHNSZDABAFKLO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.50
Rot. Bonds10

About 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one

3-hydroxy-1-pyrrolidin-1-yldodecan-1-one (PubChem CID 91717749) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-pyrrolidin-1-yldodecan-1-one
PubChem CID91717749
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-hydroxy-1-pyrrolidin-1-yldodecan-1-one
SMILESCCCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-11-15(18)14-16(19)17-12-9-10-13-17/h15,18H,2-14H2,1H3
InChIKeyVPHNSZDABAFKLO-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.50
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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3-hydroxyoctadecanoic acid
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CID 60688159
3-hydroxyoctanoic acid
CID 159718411
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
11-hydroxynonadecan-9-one
CID 100944351
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one?
The IUPAC name of 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one (CID 91717749) is 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one.
What is the SMILES notation for 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one?
The canonical SMILES for 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one is CCCCCCCCCC(O)CC(=O)N1CCCC1.
What is the InChIKey of 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one?
The InChIKey is VPHNSZDABAFKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-2-3-4-5-6-7-8-11-15(18)14-16(19)17-12-9-10-13-17/h15,18H,2-14H2,1H3.
What are the key properties of 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one?
3-hydroxy-1-pyrrolidin-1-yldodecan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-pyrrolidin-1-yldodecan-1-one is sourced from PubChem (CID 91717749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).