(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one

C6H12N2O — CID 58071883

IUPAC(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@@H]1CN
InChIInChI=1S/C6H12N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyMBOJEPGCYUHHCU-RFZPGFLSSA-N
MW128.17 g/mol
LogP-0.53
Rot. Bonds1

About (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one

(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one (PubChem CID 58071883) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
PubChem CID58071883
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one
SMILESC[C@H]1NC(=O)C[C@@H]1CN
InChIInChI=1S/C6H12N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKeyMBOJEPGCYUHHCU-RFZPGFLSSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-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 (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one (CID 58071883) is (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one is C[C@H]1NC(=O)C[C@@H]1CN.
What is the InChIKey of (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one?
The InChIKey is MBOJEPGCYUHHCU-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5(3-7)2-6(9)8-4/h4-5H,2-3,7H2,1H3,(H,8,9)/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one?
(4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(aminomethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 58071883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).