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

C20H19NO2 — CID 122377580

IUPAC(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
SMILESC=CC[C@@]1(Cc2ccccc2)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C20H19NO2/c1-3-13-20(14-16-9-5-4-6-10-16)19(23)17-11-7-8-12-18(17)21(20)15(2)22/h3-12H,1,13-14H2,2H3/t20-/m1/s1
InChIKeyNGZBCBZDAAXMJH-HXUWFJFHSA-N
MW305.38 g/mol
LogP3.79
Rot. Bonds4

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

(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one (PubChem CID 122377580) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one.

Molecular Properties

Compound Name(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
PubChem CID122377580
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one
SMILESC=CC[C@@]1(Cc2ccccc2)C(=O)c2ccccc2N1C(C)=O
InChIInChI=1S/C20H19NO2/c1-3-13-20(14-16-9-5-4-6-10-16)19(23)17-11-7-8-12-18(17)21(20)15(2)22/h3-12H,1,13-14H2,2H3/t20-/m1/s1
InChIKeyNGZBCBZDAAXMJH-HXUWFJFHSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.79
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

tert-butyl 3-oxo-2,2-bis(prop-2-enyl)indole-1-carboxylate
CID 135029595
(2R)-1-acetyl-2-(2-bromophenyl)-2-prop-2-enylindol-3-one
CID 122377588
1-acetyl-2-but-3-en-2-yl-2-methylindol-3-one
CID 10847818
tert-butyl (2R)-2-benzyl-3-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 160694364
tert-butyl (2R,6S)-2,4-dibenzyl-6-methyl-3-oxo-2-prop-2-enylpiperazine-1-carboxylate
CID 101458015
(2S)-1-acetyl-6-chloro-2-methyl-2-prop-2-enylindol-3-one
CID 122377583
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
2-benzyl-4-(4-methoxybenzoyl)-3-oxo-2-prop-2-enylpiperazine-1-carboxylic acid
CID 154944654
1,3-dibenzyl-3-hydroxyquinoline-2,4-dione
CID 11428277
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
2,2-dimethyl-1-(4-phenylbutanoyl)-3H-quinolin-4-one
CID 167644306
tert-butyl (6S)-4-benzyl-6-methyl-3-oxo-2,2-bis(prop-2-enyl)piperazine-1-carboxylate
CID 101458020

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one?
The IUPAC name of (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one (CID 122377580) is (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one.
What is the SMILES notation for (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one?
The canonical SMILES for (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one is C=CC[C@@]1(Cc2ccccc2)C(=O)c2ccccc2N1C(C)=O.
What is the InChIKey of (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one?
The InChIKey is NGZBCBZDAAXMJH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-13-20(14-16-9-5-4-6-10-16)19(23)17-11-7-8-12-18(17)21(20)15(2)22/h3-12H,1,13-14H2,2H3/t20-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one?
(2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one has a molecular weight of 305.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-benzyl-2-prop-2-enylindol-3-one is sourced from PubChem (CID 122377580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).