ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile

C14H19N3O — CID 163373688

IUPACethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
SMILESCC.CNC(C#N)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13N3O.C2H6/c1-14-8(7-13)6-10-9-4-2-3-5-11(9)15-12(10)16;1-2/h2-5,8,10,14H,6H2,1H3,(H,15,16);1-2H3
InChIKeyHPFBZODUVSARSZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.25
Rot. Bonds3

About ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile

ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile (PubChem CID 163373688) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile.

Molecular Properties

Compound Nameethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
PubChem CID163373688
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Nameethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile
SMILESCC.CNC(C#N)CC1C(=O)Nc2ccccc21
InChIInChI=1S/C12H13N3O.C2H6/c1-14-8(7-13)6-10-9-4-2-3-5-11(9)15-12(10)16;1-2/h2-5,8,10,14H,6H2,1H3,(H,15,16);1-2H3
InChIKeyHPFBZODUVSARSZ-UHFFFAOYSA-N
XLogP2.25
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile?
The IUPAC name of ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile (CID 163373688) is ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile.
What is the SMILES notation for ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile?
The canonical SMILES for ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile is CC.CNC(C#N)CC1C(=O)Nc2ccccc21.
What is the InChIKey of ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile?
The InChIKey is HPFBZODUVSARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.C2H6/c1-14-8(7-13)6-10-9-4-2-3-5-11(9)15-12(10)16;1-2/h2-5,8,10,14H,6H2,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile?
ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile has a molecular weight of 245.33 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylamino)-3-(2-oxo-1,3-dihydroindol-3-yl)propanenitrile is sourced from PubChem (CID 163373688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).