5-(3-hydroxyhexyl)pyrrolidin-2-one

C10H19NO2 — CID 558378

IUPAC5-(3-hydroxyhexyl)pyrrolidin-2-one
SMILESCCCC(O)CCC1CCC(=O)N1
InChIInChI=1S/C10H19NO2/c1-2-3-9(12)6-4-8-5-7-10(13)11-8/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyBTSMMYMCXRQFFH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.21
Rot. Bonds5

About 5-(3-hydroxyhexyl)pyrrolidin-2-one

5-(3-hydroxyhexyl)pyrrolidin-2-one (PubChem CID 558378) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(3-hydroxyhexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-hydroxyhexyl)pyrrolidin-2-one
PubChem CID558378
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(3-hydroxyhexyl)pyrrolidin-2-one
SMILESCCCC(O)CCC1CCC(=O)N1
InChIInChI=1S/C10H19NO2/c1-2-3-9(12)6-4-8-5-7-10(13)11-8/h8-9,12H,2-7H2,1H3,(H,11,13)
InChIKeyBTSMMYMCXRQFFH-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyhexyl)pyrrolidin-2-one?
The IUPAC name of 5-(3-hydroxyhexyl)pyrrolidin-2-one (CID 558378) is 5-(3-hydroxyhexyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3-hydroxyhexyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3-hydroxyhexyl)pyrrolidin-2-one is CCCC(O)CCC1CCC(=O)N1.
What is the InChIKey of 5-(3-hydroxyhexyl)pyrrolidin-2-one?
The InChIKey is BTSMMYMCXRQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-9(12)6-4-8-5-7-10(13)11-8/h8-9,12H,2-7H2,1H3,(H,11,13).
What are the key properties of 5-(3-hydroxyhexyl)pyrrolidin-2-one?
5-(3-hydroxyhexyl)pyrrolidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyhexyl)pyrrolidin-2-one is sourced from PubChem (CID 558378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).