4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one

C10H18N2O2 — CID 168659236

IUPAC4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
SMILESCC1(CN2CC(CN)CC2=O)COC1
InChIInChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-12-4-8(3-11)2-9(12)13/h8H,2-7,11H2,1H3
InChIKeyTVIHPHPOBPNJMK-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.17
Rot. Bonds3

About 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one (PubChem CID 168659236) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
PubChem CID168659236
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
SMILESCC1(CN2CC(CN)CC2=O)COC1
InChIInChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-12-4-8(3-11)2-9(12)13/h8H,2-7,11H2,1H3
InChIKeyTVIHPHPOBPNJMK-UHFFFAOYSA-N
XLogP-0.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-ethynyl-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one
CID 168500421
4-(aminomethyl)-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
CID 168658687
4-(aminomethyl)-1-(2-methylprop-2-enyl)pyrrolidin-2-one
CID 168659192
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
CID 82508028
4-amino-1-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]pyrrolidin-2-one
CID 168698669
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
CID 44827665
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 168659646
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136
1-[[4-(dimethylamino)oxan-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662216
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one (CID 168659236) is 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one is CC1(CN2CC(CN)CC2=O)COC1.
What is the InChIKey of 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
The InChIKey is TVIHPHPOBPNJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(6-14-7-10)5-12-4-8(3-11)2-9(12)13/h8H,2-7,11H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168659236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).