1-(aminomethyl)-4-methylpyrrolidin-3-one

C6H12N2O — CID 151214183

IUPAC1-(aminomethyl)-4-methylpyrrolidin-3-one
SMILESCC1CN(CN)CC1=O
InChIInChI=1S/C6H12N2O/c1-5-2-8(4-7)3-6(5)9/h5H,2-4,7H2,1H3
InChIKeyNKXIUDQFORYXAL-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.58
Rot. Bonds1

About 1-(aminomethyl)-4-methylpyrrolidin-3-one

1-(aminomethyl)-4-methylpyrrolidin-3-one (PubChem CID 151214183) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methylpyrrolidin-3-one.

Molecular Properties

Compound Name1-(aminomethyl)-4-methylpyrrolidin-3-one
PubChem CID151214183
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(aminomethyl)-4-methylpyrrolidin-3-one
SMILESCC1CN(CN)CC1=O
InChIInChI=1S/C6H12N2O/c1-5-2-8(4-7)3-6(5)9/h5H,2-4,7H2,1H3
InChIKeyNKXIUDQFORYXAL-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114501145
(3,4-dimethyl-2,5-dihydropyrrol-1-yl)methanamine
CID 167084307
1-benzyl-3-methylpiperidin-4-one
CID 560965
1-(2,3-dihydroxypropyl)-3-methylpiperidin-4-one
CID 114500290
ethyl 4-(3-methyl-4-oxopiperidin-1-yl)-3-oxobutanoate
CID 114501322
1-ethyl-5-methylpiperidine-2,4-dione
CID 14800179
potassium (1-ethyl-4-oxopyrrolidin-3-yl)azanide
CID 164538240
1-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidin-4-one
CID 114500345
1-(3-ethylsulfonylpropyl)-3-methylpiperidin-4-one
CID 114500199
(3-fluoro-4-methylpyrrolidin-1-yl)methanamine
CID 150369867
(3S)-3-methyl-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-one
CID 129445742
(Z)-2-methyl-4-(3-methyl-4-oxopiperidin-1-yl)but-2-enoic acid
CID 114501182

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methylpyrrolidin-3-one?
The IUPAC name of 1-(aminomethyl)-4-methylpyrrolidin-3-one (CID 151214183) is 1-(aminomethyl)-4-methylpyrrolidin-3-one.
What is the SMILES notation for 1-(aminomethyl)-4-methylpyrrolidin-3-one?
The canonical SMILES for 1-(aminomethyl)-4-methylpyrrolidin-3-one is CC1CN(CN)CC1=O.
What is the InChIKey of 1-(aminomethyl)-4-methylpyrrolidin-3-one?
The InChIKey is NKXIUDQFORYXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5-2-8(4-7)3-6(5)9/h5H,2-4,7H2,1H3.
What are the key properties of 1-(aminomethyl)-4-methylpyrrolidin-3-one?
1-(aminomethyl)-4-methylpyrrolidin-3-one has a molecular weight of 128.17 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methylpyrrolidin-3-one is sourced from PubChem (CID 151214183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).