5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one

C10H19NO2 — CID 112626363

IUPAC5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(13)3-2-5-11-6-4-10(7-11)8-12/h10,12H,2-8H2,1H3
InChIKeyNTTPCFBEMVZZCG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds5

About 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one

5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one (PubChem CID 112626363) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
PubChem CID112626363
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one
SMILESCC(=O)CCCN1CCC(CO)C1
InChIInChI=1S/C10H19NO2/c1-9(13)3-2-5-11-6-4-10(7-11)8-12/h10,12H,2-8H2,1H3
InChIKeyNTTPCFBEMVZZCG-UHFFFAOYSA-N
XLogP0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxymethyl)-1-pentylpyrrolidin-2-one
CID 24275540
1-[3-(Hydroxymethyl)pentyl]pyrrolidin-2-one
CID 53915835
1-(3-(Hydroxymethyl)pyrrolidin-1-yl)pentan-1-one
CID 62370574
4-[3-(Hydroxymethyl)pyrrolidin-1-yl]butan-2-one
CID 89355870
1-(1-Ethyl-5-hydroxypyrrolidin-3-yl)ethanone
CID 123436388
1-(1-Heptyl-5-hydroxypyrrolidin-3-yl)ethanone
CID 123518375
1-(1-Tert-butyl-5-hydroxypyrrolidin-3-yl)ethanone
CID 123550571
1-(5-Hydroxy-1-propan-2-ylpyrrolidin-3-yl)ethanone
CID 123563837
5-(2,5-Dihydroxy-3-methylpyrrolidin-1-yl)pentan-2-one
CID 123762761
5-Hydroxy-3-methyl-1-(4-methyl-3-oxopentyl)pyrrolidin-2-one
CID 134419125
5-(2-Hydroxypyrrolidin-1-yl)pentan-2-one
CID 143803259
5-Hydroxy-4-methyl-1-(4-oxopentyl)pyrrolidin-2-one
CID 146875333

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one?
The IUPAC name of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one (CID 112626363) is 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one.
What is the SMILES notation for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one?
The canonical SMILES for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one is CC(=O)CCCN1CCC(CO)C1.
What is the InChIKey of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one?
The InChIKey is NTTPCFBEMVZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(13)3-2-5-11-6-4-10(7-11)8-12/h10,12H,2-8H2,1H3.
What are the key properties of 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one?
5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-2-one is sourced from PubChem (CID 112626363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).