3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one

C18H15NO2 — CID 11196681

IUPAC3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one
SMILESC=C=C(c1ccccc1)C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-3-14(13-9-5-4-6-10-13)18(21)15-11-7-8-12-16(15)19(2)17(18)20/h4-12,21H,1H2,2H3
InChIKeyULXKVBQFUKXJAR-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.72
Rot. Bonds2

About 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one

3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one (PubChem CID 11196681) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one
PubChem CID11196681
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one
SMILESC=C=C(c1ccccc1)C1(O)C(=O)N(C)c2ccccc21
InChIInChI=1S/C18H15NO2/c1-3-14(13-9-5-4-6-10-13)18(21)15-11-7-8-12-16(15)19(2)17(18)20/h4-12,21H,1H2,2H3
InChIKeyULXKVBQFUKXJAR-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one?
The IUPAC name of 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one (CID 11196681) is 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one?
The canonical SMILES for 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one is C=C=C(c1ccccc1)C1(O)C(=O)N(C)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one?
The InChIKey is ULXKVBQFUKXJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-3-14(13-9-5-4-6-10-13)18(21)15-11-7-8-12-16(15)19(2)17(18)20/h4-12,21H,1H2,2H3.
What are the key properties of 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one?
3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-3-(1-phenylpropa-1,2-dienyl)indol-2-one is sourced from PubChem (CID 11196681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).