4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane

C14H18N2O — CID 142181995

IUPAC4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane
SMILESCCC.COc1ccc(C#N)c2[nH]cc(C)c12
InChIInChI=1S/C11H10N2O.C3H8/c1-7-6-13-11-8(5-12)3-4-9(14-2)10(7)11;1-3-2/h3-4,6,13H,1-2H3;3H2,1-2H3
InChIKeyJGZOKGUSJUNTQT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.77
Rot. Bonds1

About 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane

4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane (PubChem CID 142181995) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane.

Molecular Properties

Compound Name4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane
PubChem CID142181995
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane
SMILESCCC.COc1ccc(C#N)c2[nH]cc(C)c12
InChIInChI=1S/C11H10N2O.C3H8/c1-7-6-13-11-8(5-12)3-4-9(14-2)10(7)11;1-3-2/h3-4,6,13H,1-2H3;3H2,1-2H3
InChIKeyJGZOKGUSJUNTQT-UHFFFAOYSA-N
XLogP3.77
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane?
The IUPAC name of 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane (CID 142181995) is 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane.
What is the SMILES notation for 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane?
The canonical SMILES for 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane is CCC.COc1ccc(C#N)c2[nH]cc(C)c12.
What is the InChIKey of 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane?
The InChIKey is JGZOKGUSJUNTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.C3H8/c1-7-6-13-11-8(5-12)3-4-9(14-2)10(7)11;1-3-2/h3-4,6,13H,1-2H3;3H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane?
4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane has a molecular weight of 230.31 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1H-indole-7-carbonitrile;propane is sourced from PubChem (CID 142181995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).