3-(aminomethyl)-1-methylpyrrolidin-2-one

C6H12N2O — CID 79370538

IUPAC3-(aminomethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CN)C1=O
InChIInChI=1S/C6H12N2O/c1-8-3-2-5(4-7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyVIQYCNNFGJPTRC-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.58
Rot. Bonds1

About 3-(aminomethyl)-1-methylpyrrolidin-2-one

3-(aminomethyl)-1-methylpyrrolidin-2-one (PubChem CID 79370538) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-methylpyrrolidin-2-one
PubChem CID79370538
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name3-(aminomethyl)-1-methylpyrrolidin-2-one
SMILESCN1CCC(CN)C1=O
InChIInChI=1S/C6H12N2O/c1-8-3-2-5(4-7)6(8)9/h5H,2-4,7H2,1H3
InChIKeyVIQYCNNFGJPTRC-UHFFFAOYSA-N
XLogP-0.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

1-(3-Aminopropyl)-2-pyrrolidinone
CID 82111
3-Methylpyrrolidin-2-one
CID 102848
1-Methyl-5-oxopyrrolidine-3-carboxamide
CID 541476
4-Methyl-2-pyrrolidinone
CID 533920
5-Oxopyrrolidine-3-carboxamide
CID 3528514
3,4-Dimethylpyrrolidin-2-one
CID 13297684
4-(Aminomethyl)pyrrolidin-2-one
CID 19757933
N-Methylpyrrolidine-3-carboxamide
CID 23090433
4-(Aminomethyl)pyrrolidin-2-one hydrochloride
CID 67126653
N-butyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3245780
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
3-Amino-1-(pyrrolidin-1-yl)propan-1-one
CID 4961839

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(aminomethyl)-1-methylpyrrolidin-2-one (CID 79370538) is 3-(aminomethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-methylpyrrolidin-2-one is CN1CCC(CN)C1=O.
What is the InChIKey of 3-(aminomethyl)-1-methylpyrrolidin-2-one?
The InChIKey is VIQYCNNFGJPTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-3-2-5(4-7)6(8)9/h5H,2-4,7H2,1H3.
What are the key properties of 3-(aminomethyl)-1-methylpyrrolidin-2-one?
3-(aminomethyl)-1-methylpyrrolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 79370538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).