1-(6-pentoxyhexyl)pyrrolidin-2-one

C15H29NO2 — CID 14625953

IUPAC1-(6-pentoxyhexyl)pyrrolidin-2-one
SMILESCCCCCOCCCCCCN1CCCC1=O
InChIInChI=1S/C15H29NO2/c1-2-3-7-13-18-14-8-5-4-6-11-16-12-9-10-15(16)17/h2-14H2,1H3
InChIKeyYNAFNWYIOFFEMK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.38
Rot. Bonds11

About 1-(6-pentoxyhexyl)pyrrolidin-2-one

1-(6-pentoxyhexyl)pyrrolidin-2-one (PubChem CID 14625953) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(6-pentoxyhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-pentoxyhexyl)pyrrolidin-2-one
PubChem CID14625953
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(6-pentoxyhexyl)pyrrolidin-2-one
SMILESCCCCCOCCCCCCN1CCCC1=O
InChIInChI=1S/C15H29NO2/c1-2-3-7-13-18-14-8-5-4-6-11-16-12-9-10-15(16)17/h2-14H2,1H3
InChIKeyYNAFNWYIOFFEMK-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.38
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-(6-pentoxyhexyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-pentoxyhexyl)pyrrolidin-2-one (CID 14625953) is 1-(6-pentoxyhexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-pentoxyhexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-pentoxyhexyl)pyrrolidin-2-one is CCCCCOCCCCCCN1CCCC1=O.
What is the InChIKey of 1-(6-pentoxyhexyl)pyrrolidin-2-one?
The InChIKey is YNAFNWYIOFFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-7-13-18-14-8-5-4-6-11-16-12-9-10-15(16)17/h2-14H2,1H3.
What are the key properties of 1-(6-pentoxyhexyl)pyrrolidin-2-one?
1-(6-pentoxyhexyl)pyrrolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 3.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pentoxyhexyl)pyrrolidin-2-one is sourced from PubChem (CID 14625953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).