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

C9H15NO2 — CID 57066719

IUPACcyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC1CO
InChIInChI=1S/C9H15NO2/c11-6-8-2-1-5-10(8)9(12)7-3-4-7/h7-8,11H,1-6H2
InChIKeyXENBBTYPZLZGQG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.38
Rot. Bonds2

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

cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 57066719) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID57066719
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namecyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCCC1CO
InChIInChI=1S/C9H15NO2/c11-6-8-2-1-5-10(8)9(12)7-3-4-7/h7-8,11H,1-6H2
InChIKeyXENBBTYPZLZGQG-UHFFFAOYSA-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-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 57066719) is cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CCCC1CO.
What is the InChIKey of cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XENBBTYPZLZGQG-UHFFFAOYSA-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.
What are the key properties of cyclopropyl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclopropyl-[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-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 57066719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).