(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one

C19H16BrNO2 — CID 122377588

IUPAC(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
SMILESC=CC[C@@]1(c2ccccc2Br)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C19H16BrNO2/c1-3-12-19(15-9-5-6-10-16(15)20)18(23)14-8-4-7-11-17(14)21(19)13(2)22/h3-11H,1,12H2,2H3/t19-/m1/s1
InChIKeySZZMXBPKISISDQ-LJQANCHMSA-N
MW370.25 g/mol
LogP4.47
Rot. Bonds3

About (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one

(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one (PubChem CID 122377588) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
PubChem CID122377588
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
SMILESC=CC[C@@]1(c2ccccc2Br)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C19H16BrNO2/c1-3-12-19(15-9-5-6-10-16(15)20)18(23)14-8-4-7-11-17(14)21(19)13(2)22/h3-11H,1,12H2,2H3/t19-/m1/s1
InChIKeySZZMXBPKISISDQ-LJQANCHMSA-N
XLogP4.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
CID 122377580
tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
CID 10847818
(2S)-1-acetyl-6-chloro-2-methyl-2-prop-2-enylindol-3-one
CID 122377583
(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
CID 101241045
1-[8-(iodomethyl)-8-phenyl-7-azabicyclo[4.2.0]octa-1,3,5-trien-7-yl]ethanone
CID 102070490
2-(1-methyl-2-oxo-3-prop-2-enylindol-3-yl)acetamide
CID 11402284
1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 698299
(3S)-1-methyl-3-[(3S)-1-methyl-2-oxo-3-prop-2-enylindol-3-yl]-3-prop-2-enylindol-2-one
CID 102235966
3-(hydroxymethyl)-1-methyl-3-prop-2-enylindol-2-one
CID 132572568
1-(2-ethoxy-2-methyl-3-methylideneindol-1-yl)ethanone
CID 10900477
1-[4-(2-prop-2-enyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 21474132

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one?
The IUPAC name of (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one (CID 122377588) is (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one.
What is the SMILES notation for (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one?
The canonical SMILES for (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one is C=CC[C@@]1(c2ccccc2Br)C(=O)c2ccccc2N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one?
The InChIKey is SZZMXBPKISISDQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-3-12-19(15-9-5-6-10-16(15)20)18(23)14-8-4-7-11-17(14)21(19)13(2)22/h3-11H,1,12H2,2H3/t19-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one?
(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one has a molecular weight of 370.25 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one is sourced from PubChem (CID 122377588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).