2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one

C12H21NO2 — CID 62615106

IUPAC2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCCC1CO
InChIInChI=1S/C12H21NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-11,14H,1-9H2
InChIKeyGRMGYECUDBZPSO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds3

About 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one

2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one (PubChem CID 62615106) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
PubChem CID62615106
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
SMILESO=C1CCCCC1CN1CCCC1CO
InChIInChI=1S/C12H21NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-11,14H,1-9H2
InChIKeyGRMGYECUDBZPSO-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one?
The IUPAC name of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one (CID 62615106) is 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one?
The canonical SMILES for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one is O=C1CCCCC1CN1CCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one?
The InChIKey is GRMGYECUDBZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-9-11-5-3-7-13(11)8-10-4-1-2-6-12(10)15/h10-11,14H,1-9H2.
What are the key properties of 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one?
2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one is sourced from PubChem (CID 62615106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).