5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one

C12H16N2O — CID 82506704

IUPAC5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2CN)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyYUVKVIIXOCHZNJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.45
Rot. Bonds2

About 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one

5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one (PubChem CID 82506704) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
PubChem CID82506704
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
SMILESCc1cccc(N2C(=O)CCC2CN)c1
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3
InChIKeyYUVKVIIXOCHZNJ-UHFFFAOYSA-N
XLogP1.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-(aminomethyl)-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 163627082
4-(aminomethyl)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 105470065
(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one
CID 125493632
[2-methyl-5-(3-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-yl]methanamine
CID 82023955
5-hydroxy-1-(3-methylphenyl)piperidin-2-one
CID 117013897
7-(3-methylphenyl)-2-oxa-7-azabicyclo[3.2.0]heptan-6-one
CID 15761342
2-[1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-ylidene]-1,3-bis(3-methylphenyl)-3a,4,5,6,7,7a-hexahydrobenzimidazole
CID 118135713
ethane;methane;1-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-one
CID 171522896
3-(3-methylphenyl)-2-sulfanyl-1,3-thiazolidin-4-one
CID 13005196
2,5-dimethyl-1-(3-methylphenyl)pyrrolidine
CID 90931230
3-(3-methylphenyl)-2-oxo-1,3-oxazinane-4-carbonitrile
CID 117010650
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one (CID 82506704) is 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one is Cc1cccc(N2C(=O)CCC2CN)c1.
What is the InChIKey of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
The InChIKey is YUVKVIIXOCHZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-10(7-9)14-11(8-13)5-6-12(14)15/h2-4,7,11H,5-6,8,13H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one?
5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 82506704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).