1-hexan-2-ylpyrrolidin-2-one

C10H19NO — CID 21136577

IUPAC1-hexan-2-ylpyrrolidin-2-one
SMILESCCCCC(C)N1CCCC1=O
InChIInChI=1S/C10H19NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3
InChIKeyZQLVCJQDWDXFEF-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds4

About 1-hexan-2-ylpyrrolidin-2-one

1-hexan-2-ylpyrrolidin-2-one (PubChem CID 21136577) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-hexan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-hexan-2-ylpyrrolidin-2-one
PubChem CID21136577
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-hexan-2-ylpyrrolidin-2-one
SMILESCCCCC(C)N1CCCC1=O
InChIInChI=1S/C10H19NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3
InChIKeyZQLVCJQDWDXFEF-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-hexan-2-ylpyrrolidin-2-one (CID 21136577) is 1-hexan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-hexan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-hexan-2-ylpyrrolidin-2-one is CCCCC(C)N1CCCC1=O.
What is the InChIKey of 1-hexan-2-ylpyrrolidin-2-one?
The InChIKey is ZQLVCJQDWDXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-6-9(2)11-8-5-7-10(11)12/h9H,3-8H2,1-2H3.
What are the key properties of 1-hexan-2-ylpyrrolidin-2-one?
1-hexan-2-ylpyrrolidin-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 21136577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).