1-(3-hydroxypyrrolidin-3-yl)propan-1-one

C7H13NO2 — CID 89082385

IUPAC1-(3-hydroxypyrrolidin-3-yl)propan-1-one
SMILESCCC(=O)C1(O)CCNC1
InChIInChI=1S/C7H13NO2/c1-2-6(9)7(10)3-4-8-5-7/h8,10H,2-5H2,1H3
InChIKeyHATFQMINDZUYHP-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.31
Rot. Bonds2

About 1-(3-hydroxypyrrolidin-3-yl)propan-1-one

1-(3-hydroxypyrrolidin-3-yl)propan-1-one (PubChem CID 89082385) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-3-yl)propan-1-one
PubChem CID89082385
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(3-hydroxypyrrolidin-3-yl)propan-1-one
SMILESCCC(=O)C1(O)CCNC1
InChIInChI=1S/C7H13NO2/c1-2-6(9)7(10)3-4-8-5-7/h8,10H,2-5H2,1H3
InChIKeyHATFQMINDZUYHP-UHFFFAOYSA-N
XLogP-0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-3-yl]ethanone
CID 167202953
(3S)-3-hydroxypyrrolidine-3-carboxamide
CID 97359016
1-(1-propanoylcyclopropyl)propan-1-one
CID 5243904
(3R)-N-ethyl-3-hydroxypiperidine-3-carboxamide
CID 124673250
3-methylidene-1-(3-methylpyrrolidin-3-yl)pentan-1-one
CID 116570154
4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
CID 90894414
1-propanoylcyclopropane-1-carboxylic acid
CID 89112237
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
1-(2-methoxymorpholin-2-yl)propan-1-one
CID 174878714
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
3-[(3-hydroxypyrrolidin-3-yl)methyl]-1,1-dimethylurea
CID 114760994
(3-ethylpyrrolidin-3-yl) 2-sulfanylacetate
CID 168758060

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-3-yl)propan-1-one?
The IUPAC name of 1-(3-hydroxypyrrolidin-3-yl)propan-1-one (CID 89082385) is 1-(3-hydroxypyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(3-hydroxypyrrolidin-3-yl)propan-1-one is CCC(=O)C1(O)CCNC1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-3-yl)propan-1-one?
The InChIKey is HATFQMINDZUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-6(9)7(10)3-4-8-5-7/h8,10H,2-5H2,1H3.
What are the key properties of 1-(3-hydroxypyrrolidin-3-yl)propan-1-one?
1-(3-hydroxypyrrolidin-3-yl)propan-1-one has a molecular weight of 143.19 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 89082385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).