[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone

C15H15NO2 — CID 35523959

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C15H15NO2/c1-10-9-12-5-3-4-6-14(12)16(10)15(17)13-7-8-18-11(13)2/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyDQNUOAPUDUMWEF-JTQLQIEISA-N
MW241.29 g/mol
LogP3.18
Rot. Bonds1

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 35523959) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID35523959
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C15H15NO2/c1-10-9-12-5-3-4-6-14(12)16(10)15(17)13-7-8-18-11(13)2/h3-8,10H,9H2,1-2H3/t10-/m0/s1
InChIKeyDQNUOAPUDUMWEF-JTQLQIEISA-N
XLogP3.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylfuran-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 24655561
(2-methylfuran-3-yl)-[(2S)-2-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 97002316
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
CID 136522965
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone
CID 129400215
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-iodo-4-methylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100527033
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
4,6-dimethyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyran-2-one
CID 110699372

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone (CID 35523959) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is DQNUOAPUDUMWEF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-9-12-5-3-4-6-14(12)16(10)15(17)13-7-8-18-11(13)2/h3-8,10H,9H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 241.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 35523959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).