1-(2-nonylsulfanylethyl)pyrrolidin-2-one

C15H29NOS — CID 14128029

IUPAC1-(2-nonylsulfanylethyl)pyrrolidin-2-one
SMILESCCCCCCCCCSCCN1CCCC1=O
InChIInChI=1S/C15H29NOS/c1-2-3-4-5-6-7-8-13-18-14-12-16-11-9-10-15(16)17/h2-14H2,1H3
InChIKeyYWMGWPQDRRYPCS-UHFFFAOYSA-N
MW271.47 g/mol
LogP4.09
Rot. Bonds11

About 1-(2-nonylsulfanylethyl)pyrrolidin-2-one

1-(2-nonylsulfanylethyl)pyrrolidin-2-one (PubChem CID 14128029) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 1-(2-nonylsulfanylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-nonylsulfanylethyl)pyrrolidin-2-one
PubChem CID14128029
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name1-(2-nonylsulfanylethyl)pyrrolidin-2-one
SMILESCCCCCCCCCSCCN1CCCC1=O
InChIInChI=1S/C15H29NOS/c1-2-3-4-5-6-7-8-13-18-14-12-16-11-9-10-15(16)17/h2-14H2,1H3
InChIKeyYWMGWPQDRRYPCS-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-nonylsulfanylethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-nonylsulfanylethyl)pyrrolidin-2-one (CID 14128029) is 1-(2-nonylsulfanylethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-nonylsulfanylethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-nonylsulfanylethyl)pyrrolidin-2-one is CCCCCCCCCSCCN1CCCC1=O.
What is the InChIKey of 1-(2-nonylsulfanylethyl)pyrrolidin-2-one?
The InChIKey is YWMGWPQDRRYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-3-4-5-6-7-8-13-18-14-12-16-11-9-10-15(16)17/h2-14H2,1H3.
What are the key properties of 1-(2-nonylsulfanylethyl)pyrrolidin-2-one?
1-(2-nonylsulfanylethyl)pyrrolidin-2-one has a molecular weight of 271.47 g/mol, XLogP of 4.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nonylsulfanylethyl)pyrrolidin-2-one is sourced from PubChem (CID 14128029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).