1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one

C12H23NO2 — CID 70888597

IUPAC1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CC(O)CN1C(=O)CCC(C)C
InChIInChI=1S/C12H23NO2/c1-4-10-7-11(14)8-13(10)12(15)6-5-9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYWYHRYFGAHURCE-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.79
Rot. Bonds4

About 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one

1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one (PubChem CID 70888597) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
PubChem CID70888597
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one
SMILESCCC1CC(O)CN1C(=O)CCC(C)C
InChIInChI=1S/C12H23NO2/c1-4-10-7-11(14)8-13(10)12(15)6-5-9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyYWYHRYFGAHURCE-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one (CID 70888597) is 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one is CCC1CC(O)CN1C(=O)CCC(C)C.
What is the InChIKey of 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
The InChIKey is YWYHRYFGAHURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10-7-11(14)8-13(10)12(15)6-5-9(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one?
1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-hydroxypyrrolidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 70888597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).