1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one

C19H37NO2 — CID 59752154

IUPAC1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one
SMILESCCCCCCCN1C(=O)CCC1CCC(O)CCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h17-18,21H,3-16H2,1-2H3
InChIKeyUIVFJOCSSOHUSG-UHFFFAOYSA-N
MW311.51 g/mol
LogP4.67
Rot. Bonds13

About 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one

1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one (PubChem CID 59752154) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one
PubChem CID59752154
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one
SMILESCCCCCCCN1C(=O)CCC1CCC(O)CCCCC
InChIInChI=1S/C19H37NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h17-18,21H,3-16H2,1-2H3
InChIKeyUIVFJOCSSOHUSG-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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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one?
The IUPAC name of 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one (CID 59752154) is 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one.
What is the SMILES notation for 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one?
The canonical SMILES for 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one is CCCCCCCN1C(=O)CCC1CCC(O)CCCCC.
What is the InChIKey of 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one?
The InChIKey is UIVFJOCSSOHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-5-7-8-10-16-20-17(13-15-19(20)22)12-14-18(21)11-9-6-4-2/h17-18,21H,3-16H2,1-2H3.
What are the key properties of 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one?
1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-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 1-heptyl-5-(3-hydroxyoctyl)pyrrolidin-2-one is sourced from PubChem (CID 59752154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).