3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one

C13H24N2O2 — CID 79617986

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one
SMILESCN(C)CC1CC(O)CN1C1CCCC(=O)C1
InChIInChI=1S/C13H24N2O2/c1-14(2)8-11-7-13(17)9-15(11)10-4-3-5-12(16)6-10/h10-11,13,17H,3-9H2,1-2H3
InChIKeyFVLCYXRTAZQWFX-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.49
Rot. Bonds3

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one (PubChem CID 79617986) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one
PubChem CID79617986
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one
SMILESCN(C)CC1CC(O)CN1C1CCCC(=O)C1
InChIInChI=1S/C13H24N2O2/c1-14(2)8-11-7-13(17)9-15(11)10-4-3-5-12(16)6-10/h10-11,13,17H,3-9H2,1-2H3
InChIKeyFVLCYXRTAZQWFX-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one (CID 79617986) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one is CN(C)CC1CC(O)CN1C1CCCC(=O)C1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one?
The InChIKey is FVLCYXRTAZQWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14(2)8-11-7-13(17)9-15(11)10-4-3-5-12(16)6-10/h10-11,13,17H,3-9H2,1-2H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one has a molecular weight of 240.35 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]cyclohexan-1-one is sourced from PubChem (CID 79617986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).