2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide

C11H14N2O — CID 141413886

IUPAC2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCN1Cc2ccc(CC(N)=O)cc2C1
InChIInChI=1S/C11H14N2O/c1-13-6-9-3-2-8(5-11(12)14)4-10(9)7-13/h2-4H,5-7H2,1H3,(H2,12,14)
InChIKeyPHYGXPPZPFDLNQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.66
Rot. Bonds2

About 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide

2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide (PubChem CID 141413886) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide
PubChem CID141413886
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide
SMILESCN1Cc2ccc(CC(N)=O)cc2C1
InChIInChI=1S/C11H14N2O/c1-13-6-9-3-2-8(5-11(12)14)4-10(9)7-13/h2-4H,5-7H2,1H3,(H2,12,14)
InChIKeyPHYGXPPZPFDLNQ-UHFFFAOYSA-N
XLogP0.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
2-methyl-1,3-dihydroisoindole-5-carboxamide
CID 84613951
N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]propanamide
CID 21050646
1-(2-amino-2-oxoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]piperidine-4-carboxamide
CID 70742720
ethyl 7-(2-amino-2-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 66982292
5-(azidomethyl)-2-methyl-1,3-dihydroisoindole
CID 152677649
4-(2-aminoethyl)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]benzamide
CID 122559119
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
(2R)-N-methyl-N-[(2-methyl-1,3-dihydroisoindol-5-yl)methyl]spiro[2.2]pentane-2-carboxamide
CID 126443036
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide (CID 141413886) is 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide is CN1Cc2ccc(CC(N)=O)cc2C1.
What is the InChIKey of 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide?
The InChIKey is PHYGXPPZPFDLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13-6-9-3-2-8(5-11(12)14)4-10(9)7-13/h2-4H,5-7H2,1H3,(H2,12,14).
What are the key properties of 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide?
2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide has a molecular weight of 190.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dihydroisoindol-5-yl)acetamide is sourced from PubChem (CID 141413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).