3-ethyl-3-propan-2-yl-1H-indol-2-one

C13H17NO — CID 45094674

IUPAC3-ethyl-3-propan-2-yl-1H-indol-2-one
SMILESCCC1(C(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C13H17NO/c1-4-13(9(2)3)10-7-5-6-8-11(10)14-12(13)15/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyRSKXCOPICGDNKK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.94
Rot. Bonds2

About 3-ethyl-3-propan-2-yl-1H-indol-2-one

3-ethyl-3-propan-2-yl-1H-indol-2-one (PubChem CID 45094674) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-ethyl-3-propan-2-yl-1H-indol-2-one.

Molecular Properties

Compound Name3-ethyl-3-propan-2-yl-1H-indol-2-one
PubChem CID45094674
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-ethyl-3-propan-2-yl-1H-indol-2-one
SMILESCCC1(C(C)C)C(=O)Nc2ccccc21
InChIInChI=1S/C13H17NO/c1-4-13(9(2)3)10-7-5-6-8-11(10)14-12(13)15/h5-9H,4H2,1-3H3,(H,14,15)
InChIKeyRSKXCOPICGDNKK-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ropinirole
CID 5095
Oxindole
CID 321710
Ropinirole Hydrochloride
CID 68727
N-Methyloxindole
CID 6096
5-fluoro-1,3-dihydro-2H-indol-2-one
CID 3731012
N-Ethyloxindole
CID 66135
3-Methyloxindole
CID 150923
2-(2-Oxoindolin-3-ylidene)malononitrile
CID 244537
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
3-Benzylideneindolin-2-one
CID 1551501
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
(3E)-3-(3-methylbut-2-enylidene)-1H-indol-2-one
CID 5319526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-propan-2-yl-1H-indol-2-one?
The IUPAC name of 3-ethyl-3-propan-2-yl-1H-indol-2-one (CID 45094674) is 3-ethyl-3-propan-2-yl-1H-indol-2-one.
What is the SMILES notation for 3-ethyl-3-propan-2-yl-1H-indol-2-one?
The canonical SMILES for 3-ethyl-3-propan-2-yl-1H-indol-2-one is CCC1(C(C)C)C(=O)Nc2ccccc21.
What is the InChIKey of 3-ethyl-3-propan-2-yl-1H-indol-2-one?
The InChIKey is RSKXCOPICGDNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-4-13(9(2)3)10-7-5-6-8-11(10)14-12(13)15/h5-9H,4H2,1-3H3,(H,14,15).
What are the key properties of 3-ethyl-3-propan-2-yl-1H-indol-2-one?
3-ethyl-3-propan-2-yl-1H-indol-2-one has a molecular weight of 203.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-propan-2-yl-1H-indol-2-one is sourced from PubChem (CID 45094674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).