cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

C12H21NO2 — CID 79546457

IUPACcyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC(O)CC1CCCN1C(=O)C1CCC1
InChIInChI=1S/C12H21NO2/c1-9(14)8-11-6-3-7-13(11)12(15)10-4-2-5-10/h9-11,14H,2-8H2,1H3
InChIKeyHQHRUNPUBKMAQY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.55
Rot. Bonds3

About cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone

cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 79546457) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID79546457
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCC(O)CC1CCCN1C(=O)C1CCC1
InChIInChI=1S/C12H21NO2/c1-9(14)8-11-6-3-7-13(11)12(15)10-4-2-5-10/h9-11,14H,2-8H2,1H3
InChIKeyHQHRUNPUBKMAQY-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 79546457) is cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is CC(O)CC1CCCN1C(=O)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is HQHRUNPUBKMAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(14)8-11-6-3-7-13(11)12(15)10-4-2-5-10/h9-11,14H,2-8H2,1H3.
What are the key properties of cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone?
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 211.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 79546457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).