2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone

C20H21NO2 — CID 97072547

IUPAC2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)C[C@@H]1OCCc3ccccc31)CC2
InChIInChI=1S/C20H21NO2/c1-14-5-4-7-16-9-11-21(20(14)16)19(22)13-18-17-8-3-2-6-15(17)10-12-23-18/h2-8,18H,9-13H2,1H3/t18-/m0/s1
InChIKeyOBGDYFLRTKHRBM-SFHVURJKSA-N
MW307.39 g/mol
LogP3.59
Rot. Bonds2

About 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 97072547) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID97072547
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)C[C@@H]1OCCc3ccccc31)CC2
InChIInChI=1S/C20H21NO2/c1-14-5-4-7-16-9-11-21(20(14)16)19(22)13-18-17-8-3-2-6-15(17)10-12-23-18/h2-8,18H,9-13H2,1H3/t18-/m0/s1
InChIKeyOBGDYFLRTKHRBM-SFHVURJKSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 119376371
(2R)-1-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 124702915
(2R)-1-[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371436
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
CID 124574483
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 124570696
5-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 119255126
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone;hydrochloride
CID 119437274
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 126771622
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 114977236
1-(3,4-dihydro-1H-isochromen-1-yl)-3,4-dimethylpentan-2-one
CID 114977062
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326457

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone (CID 97072547) is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone is Cc1cccc2c1N(C(=O)C[C@@H]1OCCc3ccccc31)CC2.
What is the InChIKey of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is OBGDYFLRTKHRBM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21NO2/c1-14-5-4-7-16-9-11-21(20(14)16)19(22)13-18-17-8-3-2-6-15(17)10-12-23-18/h2-8,18H,9-13H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 307.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 97072547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).