3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one

C11H20N2O2 — CID 64912759

IUPAC3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESNC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C11H20N2O2/c12-9-5-6-13(11(9)15)7-8-3-1-2-4-10(8)14/h8-10,14H,1-7,12H2
InChIKeyDZRLFBGIYYSXHG-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.10
Rot. Bonds2

About 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one

3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 64912759) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
PubChem CID64912759
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one
SMILESNC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C11H20N2O2/c12-9-5-6-13(11(9)15)7-8-3-1-2-4-10(8)14/h8-10,14H,1-7,12H2
InChIKeyDZRLFBGIYYSXHG-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one (CID 64912759) is 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one is NC1CCN(CC2CCCCC2O)C1=O.
What is the InChIKey of 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is DZRLFBGIYYSXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-9-5-6-13(11(9)15)7-8-3-1-2-4-10(8)14/h8-10,14H,1-7,12H2.
What are the key properties of 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one?
3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-hydroxycyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 64912759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).