(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one

C16H13NO — CID 6990829

IUPAC(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one
SMILESC=C(c1ccccc1)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10,15H,1H2,(H,17,18)/t15-/m1/s1
InChIKeyUILSLWXGVBQAFD-OAHLLOKOSA-N
MW235.29 g/mol
LogP3.44
Rot. Bonds2

About (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one

(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one (PubChem CID 6990829) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one
PubChem CID6990829
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one
SMILESC=C(c1ccccc1)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10,15H,1H2,(H,17,18)/t15-/m1/s1
InChIKeyUILSLWXGVBQAFD-OAHLLOKOSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,10-dihydroacridin-9-yl(phenyl)methanone
CID 59539896
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
(3S)-3-(furan-2-carbonyl)-1,3-dihydroindol-2-one
CID 98176128
[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide
CID 164680550
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide
CID 90988690
3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
CID 91146373
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
N-(4-acetylphenyl)-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2323488
N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
3-(2-oxo-1,3-dihydroindol-3-yl)propanoic acid
CID 589482

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one (CID 6990829) is (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one is C=C(c1ccccc1)[C@H]1C(=O)Nc2ccccc21.
What is the InChIKey of (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one?
The InChIKey is UILSLWXGVBQAFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13NO/c1-11(12-7-3-2-4-8-12)15-13-9-5-6-10-14(13)17-16(15)18/h2-10,15H,1H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one?
(3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one has a molecular weight of 235.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-phenylethenyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 6990829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).