4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one

C12H22N2O2 — CID 83040179

IUPAC4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
SMILESCC1(C)CC(N2CC(CN)CC2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)6-10(3-4-16-12)14-8-9(7-13)5-11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyVVMVJHIMFCMVIU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds2

About 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one (PubChem CID 83040179) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
PubChem CID83040179
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
SMILESCC1(C)CC(N2CC(CN)CC2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)6-10(3-4-16-12)14-8-9(7-13)5-11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyVVMVJHIMFCMVIU-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one (CID 83040179) is 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one is CC1(C)CC(N2CC(CN)CC2=O)CCO1.
What is the InChIKey of 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
The InChIKey is VVMVJHIMFCMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)6-10(3-4-16-12)14-8-9(7-13)5-11(14)15/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 83040179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).