3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one

C16H21NO2 — CID 122371979

IUPAC3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one
SMILESC=CC(C)(C)OC1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-6-16(4,5)19-14-12-9-7-8-10-13(12)17(11(2)3)15(14)18/h6-11,14H,1H2,2-5H3
InChIKeyKAMMAOFEGWCYKE-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.46
Rot. Bonds4

About 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one

3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one (PubChem CID 122371979) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one.

Molecular Properties

Compound Name3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one
PubChem CID122371979
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one
SMILESC=CC(C)(C)OC1C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C16H21NO2/c1-6-16(4,5)19-14-12-9-7-8-10-13(12)17(11(2)3)15(14)18/h6-11,14H,1H2,2-5H3
InChIKeyKAMMAOFEGWCYKE-UHFFFAOYSA-N
XLogP3.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.46
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

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3-hydroxy-3-(2-methylbut-3-en-2-yl)-1-propan-2-ylindol-2-one
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(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
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tert-butyl N-(4-oxo-5-propan-2-yl-2,3-dihydro-1,5-benzothiazepin-3-yl)carbamate
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N-[2-(4-methoxyphenyl)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
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3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
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2-morpholin-4-yl-2-oxo-N-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]acetamide
CID 98210292
1,3-ditert-butyl-3H-indol-2-one
CID 11368584
3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98243178
(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one?
The IUPAC name of 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one (CID 122371979) is 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one.
What is the SMILES notation for 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one?
The canonical SMILES for 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one is C=CC(C)(C)OC1C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one?
The InChIKey is KAMMAOFEGWCYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-6-16(4,5)19-14-12-9-7-8-10-13(12)17(11(2)3)15(14)18/h6-11,14H,1H2,2-5H3.
What are the key properties of 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one?
3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one is sourced from PubChem (CID 122371979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).