3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one

C16H13NO — CID 102010173

IUPAC3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=C/c1ccccc1
InChIInChI=1S/C16H13NO/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)17-16/h1-11,14H,(H,17,18)/b11-10+
InChIKeyPITPVHWESNTKCX-ZHACJKMWSA-N
MW235.29 g/mol
LogP3.44
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one

3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one (PubChem CID 102010173) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
PubChem CID102010173
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1/C=C/c1ccccc1
InChIInChI=1S/C16H13NO/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)17-16/h1-11,14H,(H,17,18)/b11-10+
InChIKeyPITPVHWESNTKCX-ZHACJKMWSA-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

3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
CID 164896790
ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
3-(prop-2-enyliminomethyl)-1,3-dihydroindol-2-one
CID 7059841
(3S,4R)-3-methoxy-4-(2-phenylethenyl)azetidin-2-one
CID 67831878
3-[(4-aminophenyl)iminomethyl]-1,3-dihydroindol-2-one
CID 90740050
[(3R)-2-oxo-1,3-dihydroindol-3-yl]azanium
CID 6921460
3-[[(1S,2S)-2-methylcyclohexyl]iminomethyl]-1,3-dihydroindol-2-one
CID 7059807
oxo-[(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanium
CID 175320984
3-[(2-chlorophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
CID 6936861
3-[(2-bromophenyl)methyliminomethyl]-1,3-dihydroindol-2-one
CID 7059823
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]acetic acid
CID 91139489
3-(1-aminocyclopropyl)-1,3-dihydroindol-2-one
CID 83752879

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one (CID 102010173) is 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one?
The InChIKey is PITPVHWESNTKCX-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13NO/c18-16-14(11-10-12-6-2-1-3-7-12)13-8-4-5-9-15(13)17-16/h1-11,14H,(H,17,18)/b11-10+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one?
3-[(E)-2-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 3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 102010173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).