5-(aminomethyl)-5-methylpyrrolidin-2-one

C6H12N2O — CID 55290596

IUPAC5-(aminomethyl)-5-methylpyrrolidin-2-one
SMILESCC1(CN)CCC(=O)N1
InChIInChI=1S/C6H12N2O/c1-6(4-7)3-2-5(9)8-6/h2-4,7H2,1H3,(H,8,9)
InChIKeyYEMHTMAJVSSDKA-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.39
Rot. Bonds1

About 5-(aminomethyl)-5-methylpyrrolidin-2-one

5-(aminomethyl)-5-methylpyrrolidin-2-one (PubChem CID 55290596) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 5-(aminomethyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-5-methylpyrrolidin-2-one
PubChem CID55290596
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name5-(aminomethyl)-5-methylpyrrolidin-2-one
SMILESCC1(CN)CCC(=O)N1
InChIInChI=1S/C6H12N2O/c1-6(4-7)3-2-5(9)8-6/h2-4,7H2,1H3,(H,8,9)
InChIKeyYEMHTMAJVSSDKA-UHFFFAOYSA-N
XLogP-0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-5-methylpyrrolidin-2-one (CID 55290596) is 5-(aminomethyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-5-methylpyrrolidin-2-one is CC1(CN)CCC(=O)N1.
What is the InChIKey of 5-(aminomethyl)-5-methylpyrrolidin-2-one?
The InChIKey is YEMHTMAJVSSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(4-7)3-2-5(9)8-6/h2-4,7H2,1H3,(H,8,9).
What are the key properties of 5-(aminomethyl)-5-methylpyrrolidin-2-one?
5-(aminomethyl)-5-methylpyrrolidin-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 55290596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).