1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone

C16H15NO — CID 110472108

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H15NO/c18-16(10-13-6-2-1-3-7-13)17-11-14-8-4-5-9-15(14)12-17/h1-9H,10-12H2
InChIKeyYEKTUQPFJJWACR-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.77
Rot. Bonds2

About 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone

1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone (PubChem CID 110472108) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
PubChem CID110472108
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C16H15NO/c18-16(10-13-6-2-1-3-7-13)17-11-14-8-4-5-9-15(14)12-17/h1-9H,10-12H2
InChIKeyYEKTUQPFJJWACR-UHFFFAOYSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,3-dihydroisoindol-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107028038
2-(4-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204619
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-(2-aminophenyl)-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 62204617
2-benzylsulfonyl-1-(1,3-dihydroisoindol-2-yl)ethanone
CID 166512161
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
1-(3,3-difluoroazetidin-1-yl)-2-phenylethanone
CID 141369177
4-(2-phenylacetyl)piperazine-1-carboxamide
CID 21469263
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile
CID 62404386
1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)-2-phenylethanone
CID 112535743
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethanone
CID 90895697

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone (CID 110472108) is 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone?
The InChIKey is YEKTUQPFJJWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(10-13-6-2-1-3-7-13)17-11-14-8-4-5-9-15(14)12-17/h1-9H,10-12H2.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone?
1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone has a molecular weight of 237.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-phenylethanone is sourced from PubChem (CID 110472108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).