3-but-3-enyl-3-methyl-1-phenylindol-2-one

C19H19NO — CID 3488512

IUPAC3-but-3-enyl-3-methyl-1-phenylindol-2-one
SMILESC=CCCC1(C)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-3-4-14-19(2)16-12-8-9-13-17(16)20(18(19)21)15-10-6-5-7-11-15/h3,5-13H,1,4,14H2,2H3
InChIKeyYLBCSZXXLFUQIY-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.59
Rot. Bonds4

About 3-but-3-enyl-3-methyl-1-phenylindol-2-one

3-but-3-enyl-3-methyl-1-phenylindol-2-one (PubChem CID 3488512) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-but-3-enyl-3-methyl-1-phenylindol-2-one.

Molecular Properties

Compound Name3-but-3-enyl-3-methyl-1-phenylindol-2-one
PubChem CID3488512
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-but-3-enyl-3-methyl-1-phenylindol-2-one
SMILESC=CCCC1(C)C(=O)N(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H19NO/c1-3-4-14-19(2)16-12-8-9-13-17(16)20(18(19)21)15-10-6-5-7-11-15/h3,5-13H,1,4,14H2,2H3
InChIKeyYLBCSZXXLFUQIY-UHFFFAOYSA-N
XLogP4.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-3-methyl-1-phenylindol-2-one?
The IUPAC name of 3-but-3-enyl-3-methyl-1-phenylindol-2-one (CID 3488512) is 3-but-3-enyl-3-methyl-1-phenylindol-2-one.
What is the SMILES notation for 3-but-3-enyl-3-methyl-1-phenylindol-2-one?
The canonical SMILES for 3-but-3-enyl-3-methyl-1-phenylindol-2-one is C=CCCC1(C)C(=O)N(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-but-3-enyl-3-methyl-1-phenylindol-2-one?
The InChIKey is YLBCSZXXLFUQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-4-14-19(2)16-12-8-9-13-17(16)20(18(19)21)15-10-6-5-7-11-15/h3,5-13H,1,4,14H2,2H3.
What are the key properties of 3-but-3-enyl-3-methyl-1-phenylindol-2-one?
3-but-3-enyl-3-methyl-1-phenylindol-2-one has a molecular weight of 277.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-3-methyl-1-phenylindol-2-one is sourced from PubChem (CID 3488512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).