(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one

C17H14BrNO — CID 101241045

IUPAC(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
SMILESC=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O
InChIInChI=1S/C17H14BrNO/c1-2-11-17(13-8-4-5-9-14(13)18)16(20)12-7-3-6-10-15(12)19-17/h2-10,19H,1,11H2/t17-/m0/s1
InChIKeyWRXGFOCUHOJQCR-KRWDZBQOSA-N
MW328.21 g/mol
LogP4.53
Rot. Bonds3

About (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one

(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one (PubChem CID 101241045) has the molecular formula C17H14BrNO and a molecular weight of 328.21 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
PubChem CID101241045
Molecular FormulaC17H14BrNO
Molecular Weight328.21 g/mol
Exact Mass327.03
IUPAC Name(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
SMILESC=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O
InChIInChI=1S/C17H14BrNO/c1-2-11-17(13-8-4-5-9-14(13)18)16(20)12-7-3-6-10-15(12)19-17/h2-10,19H,1,11H2/t17-/m0/s1
InChIKeyWRXGFOCUHOJQCR-KRWDZBQOSA-N
XLogP4.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-(2-bromophenyl)-3-oxo-1H-indol-2-yl]acetaldehyde
CID 71608158
2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
2-[2-(7-bromo-1H-indol-3-yl)-3-oxo-1H-indol-2-yl]acetonitrile
CID 132819567
(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
CID 122377588
2-[(2-bromophenyl)methyl]-2-methyl-1H-indol-3-one
CID 172635518
2-ethenyl-2-phenyl-1H-indol-3-one
CID 11118014
4-(2-bromophenyl)-4-methylazetidin-2-one
CID 64666618
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
spiro[1H-indole-2,3'-2-benzofuran]-1',3-dione
CID 132536023
1-chloro-9,9-bis(prop-2-enyl)fluorene
CID 174649432
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one?
The IUPAC name of (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one (CID 101241045) is (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one?
The canonical SMILES for (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one is C=CC[C@@]1(c2ccccc2Br)Nc2ccccc2C1=O.
What is the InChIKey of (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one?
The InChIKey is WRXGFOCUHOJQCR-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14BrNO/c1-2-11-17(13-8-4-5-9-14(13)18)16(20)12-7-3-6-10-15(12)19-17/h2-10,19H,1,11H2/t17-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one?
(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one has a molecular weight of 328.21 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one is sourced from PubChem (CID 101241045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).