1-pentan-3-ylpyrrolidine-3,4-diol

C9H19NO2 — CID 106672556

IUPAC1-pentan-3-ylpyrrolidine-3,4-diol
SMILESCCC(CC)N1CC(O)C(O)C1
InChIInChI=1S/C9H19NO2/c1-3-7(4-2)10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyYSJBFSWKYYQMFH-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds3

About 1-pentan-3-ylpyrrolidine-3,4-diol

1-pentan-3-ylpyrrolidine-3,4-diol (PubChem CID 106672556) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-pentan-3-ylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-pentan-3-ylpyrrolidine-3,4-diol
PubChem CID106672556
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-pentan-3-ylpyrrolidine-3,4-diol
SMILESCCC(CC)N1CC(O)C(O)C1
InChIInChI=1S/C9H19NO2/c1-3-7(4-2)10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3
InChIKeyYSJBFSWKYYQMFH-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
(3R,4R)-1-(1-hydroxyhexan-2-yl)pyrrolidine-3,4-diol
CID 151920870
(2R)-2-(3-methylazetidin-1-yl)butan-1-ol
CID 107861648
(2S)-2-(3-propylazetidin-1-yl)butan-1-ol
CID 107861581
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
3-chloro-4-methyl-1-pentan-3-ylpyrrolidine
CID 130909250
3-hexan-3-yl-3-azabicyclo[3.1.0]hexane
CID 139359244
1-(dihydroxymethyl)pyrrolidine-3,4-diol;hydrobromide
CID 174751495
(3R,4S)-3,4-dimethyl-1-pentan-3-ylpyrrolidin-3-ol
CID 101210621
formic acid;(3S,4R)-1-pentan-3-yl-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
CID 154918863
3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
CID 130802981
4-(3,4-dihydroxypyrrolidin-1-yl)pentan-2-one
CID 106670355

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylpyrrolidine-3,4-diol?
The IUPAC name of 1-pentan-3-ylpyrrolidine-3,4-diol (CID 106672556) is 1-pentan-3-ylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-pentan-3-ylpyrrolidine-3,4-diol?
The canonical SMILES for 1-pentan-3-ylpyrrolidine-3,4-diol is CCC(CC)N1CC(O)C(O)C1.
What is the InChIKey of 1-pentan-3-ylpyrrolidine-3,4-diol?
The InChIKey is YSJBFSWKYYQMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-7(4-2)10-5-8(11)9(12)6-10/h7-9,11-12H,3-6H2,1-2H3.
What are the key properties of 1-pentan-3-ylpyrrolidine-3,4-diol?
1-pentan-3-ylpyrrolidine-3,4-diol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylpyrrolidine-3,4-diol is sourced from PubChem (CID 106672556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).