cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H21NO2 — CID 59917884

IUPACcyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C12H21NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h10-11,14H,1-9H2
InChIKeyBYGTYZRGYJOCHW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds2

About cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 59917884) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID59917884
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC(CO)C1
InChIInChI=1S/C12H21NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h10-11,14H,1-9H2
InChIKeyBYGTYZRGYJOCHW-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 59917884) is cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC(CO)C1.
What is the InChIKey of cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BYGTYZRGYJOCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-10-6-7-13(8-10)12(15)11-4-2-1-3-5-11/h10-11,14H,1-9H2.
What are the key properties of cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59917884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).