cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C9H15NO2 — CID 39086620

IUPACcyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C9H15NO2/c11-6-8-2-1-5-10(8)9(12)7-3-4-7/h7-8,11H,1-6H2/t8-/m1/s1
InChIKeyXENBBTYPZLZGQG-MRVPVSSYSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds2

About cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 39086620) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID39086620
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namecyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC[C@@H]1CO
InChIInChI=1S/C9H15NO2/c11-6-8-2-1-5-10(8)9(12)7-3-4-7/h7-8,11H,1-6H2/t8-/m1/s1
InChIKeyXENBBTYPZLZGQG-MRVPVSSYSA-N
XLogP0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 39086620) is cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCC[C@@H]1CO.
What is the InChIKey of cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XENBBTYPZLZGQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-6-8-2-1-5-10(8)9(12)7-3-4-7/h7-8,11H,1-6H2/t8-/m1/s1.
What are the key properties of cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 169.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 39086620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).