3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one

C18H35NO2 — CID 91717750

IUPAC3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-13-17(20)16-18(21)19-14-11-12-15-19/h17,20H,2-16H2,1H3
InChIKeyZXUALBNFQYMUCF-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.28
Rot. Bonds12

About 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one

3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one (PubChem CID 91717750) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
PubChem CID91717750
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one
SMILESCCCCCCCCCCCC(O)CC(=O)N1CCCC1
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-13-17(20)16-18(21)19-14-11-12-15-19/h17,20H,2-16H2,1H3
InChIKeyZXUALBNFQYMUCF-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

1-(3-Hydroxy-2-methyldecanoyl)pyrrolidin-2-one
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N,N-Dibutyl-12-hydroxyoctadecan-1-amide
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N,N-dimethyl-12-hydroxystearamide
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Hydroxycetyl hydroxyethylstearamide
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3-Hydroxy-decanoic acid, pyrrolidide
CID 91717714
(2R,3S)-3-hydroxy-2-iodo-N,N-di(propan-2-yl)decanamide
CID 134934756
(3R)-3-hydroxy-1-pyrrolidin-1-ylhexan-1-one
CID 138972601
(3R,6R)-3,6-dihydroxy-N,N,N',N'-tetra(propan-2-yl)octanediamide
CID 162405033
2,2-Difluoro-3-hydroxy-1-pyrrolidin-1-yloctan-1-one
CID 86073349
2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide
CID 102373407
18-Oxo-18-(1-pyrrolidinyl)-7-octadecanol
CID 539064
3-Hydroxynonanamide, N,N-dimethyl-
CID 551805

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
The IUPAC name of 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one (CID 91717750) is 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one.
What is the SMILES notation for 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
The canonical SMILES for 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one is CCCCCCCCCCCC(O)CC(=O)N1CCCC1.
What is the InChIKey of 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
The InChIKey is ZXUALBNFQYMUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-13-17(20)16-18(21)19-14-11-12-15-19/h17,20H,2-16H2,1H3.
What are the key properties of 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one?
3-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 3-hydroxy-1-pyrrolidin-1-yltetradecan-1-one is sourced from PubChem (CID 91717750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).