[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

C9H15NO2 — CID 131113542

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO2/c1-6-4-8(6)9(12)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyDIRAIYHIOFLCFY-FXQIFTODSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 131113542) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID131113542
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESC[C@H]1C[C@@H]1C(=O)N1CC[C@H](O)C1
InChIInChI=1S/C9H15NO2/c1-6-4-8(6)9(12)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyDIRAIYHIOFLCFY-FXQIFTODSA-N
XLogP0.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
[(3S)-3-methoxypyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 131201233
(3-bromopiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 80661058
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
CID 104979230
1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 55267746
azetidin-1-yl-(2-methylcyclopropyl)methanone
CID 91990919
(3-cyclopropylazetidin-1-yl)-[(1R,2R)-2-methylcyclopropyl]methanone
CID 130654803
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (CID 131113542) is [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is C[C@H]1C[C@@H]1C(=O)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is DIRAIYHIOFLCFY-FXQIFTODSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-4-8(6)9(12)10-3-2-7(11)5-10/h6-8,11H,2-5H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 169.22 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 131113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).