2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane

C17H26N2O2 — CID 142993811

IUPAC2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane
SMILESCC(C#N)c1cn(CO)c2ccccc12.CC(C)C.CO
InChIInChI=1S/C12H12N2O.C4H10.CH4O/c1-9(6-13)11-7-14(8-15)12-5-3-2-4-10(11)12;1-4(2)3;1-2/h2-5,7,9,15H,8H2,1H3;4H,1-3H3;2H,1H3
InChIKeyWSRALPUNLJWNEU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.49
Rot. Bonds2

About 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane

2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane (PubChem CID 142993811) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane
PubChem CID142993811
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane
SMILESCC(C#N)c1cn(CO)c2ccccc12.CC(C)C.CO
InChIInChI=1S/C12H12N2O.C4H10.CH4O/c1-9(6-13)11-7-14(8-15)12-5-3-2-4-10(11)12;1-4(2)3;1-2/h2-5,7,9,15H,8H2,1H3;4H,1-3H3;2H,1H3
InChIKeyWSRALPUNLJWNEU-UHFFFAOYSA-N
XLogP3.49
TPSA69.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane?
The IUPAC name of 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane (CID 142993811) is 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane.
What is the SMILES notation for 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane?
The canonical SMILES for 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane is CC(C#N)c1cn(CO)c2ccccc12.CC(C)C.CO.
What is the InChIKey of 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane?
The InChIKey is WSRALPUNLJWNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C4H10.CH4O/c1-9(6-13)11-7-14(8-15)12-5-3-2-4-10(11)12;1-4(2)3;1-2/h2-5,7,9,15H,8H2,1H3;4H,1-3H3;2H,1H3.
What are the key properties of 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane?
2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane has a molecular weight of 290.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)indol-3-yl]propanenitrile;methanol;2-methylpropane is sourced from PubChem (CID 142993811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).