2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one

C12H16N2O — CID 84721920

IUPAC2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
SMILESCNC(C)c1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C12H16N2O/c1-8(13-2)9-4-5-11-10(6-9)7-14(3)12(11)15/h4-6,8,13H,7H2,1-3H3
InChIKeyBSDUEGGEQPIMLR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.55
Rot. Bonds2

About 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one

2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one (PubChem CID 84721920) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
PubChem CID84721920
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
SMILESCNC(C)c1ccc2c(c1)CN(C)C2=O
InChIInChI=1S/C12H16N2O/c1-8(13-2)9-4-5-11-10(6-9)7-14(3)12(11)15/h4-6,8,13H,7H2,1-3H3
InChIKeyBSDUEGGEQPIMLR-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one (CID 84721920) is 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one is CNC(C)c1ccc2c(c1)CN(C)C2=O.
What is the InChIKey of 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one?
The InChIKey is BSDUEGGEQPIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(13-2)9-4-5-11-10(6-9)7-14(3)12(11)15/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one?
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 84721920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).