1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone

C12H16N2O — CID 62230150

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H16N2O/c1-2-13-7-12(15)14-8-10-5-3-4-6-11(10)9-14/h3-6,13H,2,7-9H2,1H3
InChIKeyWQTMVYLWXVFEAU-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.14
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone

1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone (PubChem CID 62230150) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
PubChem CID62230150
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H16N2O/c1-2-13-7-12(15)14-8-10-5-3-4-6-11(10)9-14/h3-6,13H,2,7-9H2,1H3
InChIKeyWQTMVYLWXVFEAU-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
2-amino-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 55049954
2-chloro-N-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]acetamide
CID 166408853
2-(ethylamino)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 60672816
N-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119647329
2-(cyclopropylmethylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 71940480
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 43466454
S-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl] ethanethioate
CID 166512227
methyl 5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
CID 46113477
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
CID 110472108
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone (CID 62230150) is 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone is CCNCC(=O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone?
The InChIKey is WQTMVYLWXVFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-13-7-12(15)14-8-10-5-3-4-6-11(10)9-14/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone?
1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone has a molecular weight of 204.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 62230150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).