4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one

C7H14N2O — CID 138039752

IUPAC4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1CN
InChIInChI=1S/C7H14N2O/c1-7(2)5(4-8)3-6(10)9-7/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyXJQLVIKGRVQFKR-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.14
Rot. Bonds1

About 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one

4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 138039752) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID138039752
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)NC(=O)CC1CN
InChIInChI=1S/C7H14N2O/c1-7(2)5(4-8)3-6(10)9-7/h5H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyXJQLVIKGRVQFKR-UHFFFAOYSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-4-pentan-3-ylpyrrolidin-2-one
CID 66108073
5,5-dimethyl-4-propan-2-ylpyrrolidin-2-one
CID 66107845
(3S)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 96735625
4-cyclohexyl-5,5-dimethylpyrrolidin-2-one
CID 66106336
6-(aminomethyl)-1-azaspiro[3.3]heptan-2-one
CID 125451195
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
5-(cyclopropylmethylamino)-6,6-dimethylpiperidin-2-one
CID 126987615
5,5-dimethyl-4-naphthalen-1-ylpyrrolidin-2-one
CID 66107850
4-chloro-5,7,7-trimethylazepane-2,6-dione
CID 123978891
3,3-dimethyl-5-oxopiperazine-2-carboxylic acid
CID 154319520
4-(3,4-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 66106985
5-(but-2-ynylamino)-6,6-dimethylpiperidin-2-one
CID 130944275

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one (CID 138039752) is 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one is CC1(C)NC(=O)CC1CN.
What is the InChIKey of 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is XJQLVIKGRVQFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)5(4-8)3-6(10)9-7/h5H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one?
4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 142.20 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 138039752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).