(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

Related Compounds

(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425
(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
6-methyl-5-propylpiperidin-2-one
CID 176903708
(4R,5S)-4,5-dimethylpyrrolidin-2-one;methanol
CID 159095548
(4R,5R)-5-methyl-4-sulfanylpyrrolidin-2-one
CID 11815391
(8S,12S,16S)-4,8,12,16-tetramethyl-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone
CID 177427940
4,5-diethylpyrrolidin-2-one
CID 66107645
(5S,6S)-5-hydroxy-6-methylpiperidin-2-one
CID 86335302
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
CID 106534465
4-[[2-(aminomethyl)cyclopentyl]amino]pyrrolidin-2-one
CID 106184314
4-(aminomethyl)-5-(4-methylphenyl)piperidin-2-one
CID 117209405

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).