1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one

C19H17NO3 — CID 11449651

IUPAC1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1OC/C=C\c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14(21)20-17-12-6-5-11-16(17)18(22)19(20)23-13-7-10-15-8-3-2-4-9-15/h2-12,19H,13H2,1H3/b10-7-
InChIKeyDXBRMPRCYXASHC-YFHOEESVSA-N
MW307.35 g/mol
LogP3.29
Rot. Bonds4

About 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one

1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one (PubChem CID 11449651) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one
PubChem CID11449651
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one
SMILESCC(=O)N1c2ccccc2C(=O)C1OC/C=C\c1ccccc1
InChIInChI=1S/C19H17NO3/c1-14(21)20-17-12-6-5-11-16(17)18(22)19(20)23-13-7-10-15-8-3-2-4-9-15/h2-12,19H,13H2,1H3/b10-7-
InChIKeyDXBRMPRCYXASHC-YFHOEESVSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3-phenylprop-2-enyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42632109
(2Z)-2-[(E)-3-phenylprop-2-enoxy]iminopropanoic acid
CID 88624450
ethyl 4-(1-acetyl-3-oxo-2H-indol-2-yl)piperazine-1-carboxylate
CID 46335603
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
[(E)-3-phenylprop-2-enyl] 2,2-dimethyl-3-oxobutanoate
CID 25170861
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[(E)-3-phenylprop-2-enyl] (E)-2-acetamido-3-phenylprop-2-enoate
CID 98572547

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one?
The IUPAC name of 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one (CID 11449651) is 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one?
The canonical SMILES for 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one is CC(=O)N1c2ccccc2C(=O)C1OC/C=C\c1ccccc1.
What is the InChIKey of 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one?
The InChIKey is DXBRMPRCYXASHC-YFHOEESVSA-N. The full InChI is InChI=1S/C19H17NO3/c1-14(21)20-17-12-6-5-11-16(17)18(22)19(20)23-13-7-10-15-8-3-2-4-9-15/h2-12,19H,13H2,1H3/b10-7-.
What are the key properties of 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one?
1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one has a molecular weight of 307.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-[(Z)-3-phenylprop-2-enoxy]-2H-indol-3-one is sourced from PubChem (CID 11449651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).