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

C12H22N2O2 — CID 64912951

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-10-6-7-14(12(10)16)8-9-4-2-3-5-11(9)15/h9-11,13,15H,2-8H2,1H3
InChIKeyGYUFHIQEUUINEU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds3

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

1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 64912951) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID64912951
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CC2CCCCC2O)C1=O
InChIInChI=1S/C12H22N2O2/c1-13-10-6-7-14(12(10)16)8-9-4-2-3-5-11(9)15/h9-11,13,15H,2-8H2,1H3
InChIKeyGYUFHIQEUUINEU-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one (CID 64912951) is 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(CC2CCCCC2O)C1=O.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is GYUFHIQEUUINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-13-10-6-7-14(12(10)16)8-9-4-2-3-5-11(9)15/h9-11,13,15H,2-8H2,1H3.
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one?
1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 64912951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).