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

C9H13NO3 — CID 14044120

IUPAC3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one
SMILESO=C1C=C(N2CCCC2CO)CO1
InChIInChI=1S/C9H13NO3/c11-5-7-2-1-3-10(7)8-4-9(12)13-6-8/h4,7,11H,1-3,5-6H2
InChIKeyDJDYEADZKFBOJS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.12
Rot. Bonds2

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

3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one (PubChem CID 14044120) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one
PubChem CID14044120
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one
SMILESO=C1C=C(N2CCCC2CO)CO1
InChIInChI=1S/C9H13NO3/c11-5-7-2-1-3-10(7)8-4-9(12)13-6-8/h4,7,11H,1-3,5-6H2
InChIKeyDJDYEADZKFBOJS-UHFFFAOYSA-N
XLogP-0.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787748
3-[2-(hydroxymethyl)azepan-1-yl]cyclopent-2-en-1-one
CID 116635103
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 61409798
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61409552
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one?
The IUPAC name of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one (CID 14044120) is 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one?
The canonical SMILES for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one is O=C1C=C(N2CCCC2CO)CO1.
What is the InChIKey of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one?
The InChIKey is DJDYEADZKFBOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-7-2-1-3-10(7)8-4-9(12)13-6-8/h4,7,11H,1-3,5-6H2.
What are the key properties of 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one?
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one has a molecular weight of 183.21 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2H-furan-5-one is sourced from PubChem (CID 14044120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).