4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile

C13H14N2O — CID 164812254

IUPAC4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile
SMILESCOc1cc(C#N)cc2[nH]c(C(C)C)cc12
InChIInChI=1S/C13H14N2O/c1-8(2)11-6-10-12(15-11)4-9(7-14)5-13(10)16-3/h4-6,8,15H,1-3H3
InChIKeyDTDPGUCUPJSKNO-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.17
Rot. Bonds2

About 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile

4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile (PubChem CID 164812254) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile
PubChem CID164812254
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile
SMILESCOc1cc(C#N)cc2[nH]c(C(C)C)cc12
InChIInChI=1S/C13H14N2O/c1-8(2)11-6-10-12(15-11)4-9(7-14)5-13(10)16-3/h4-6,8,15H,1-3H3
InChIKeyDTDPGUCUPJSKNO-UHFFFAOYSA-N
XLogP3.17
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile?
The IUPAC name of 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile (CID 164812254) is 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile.
What is the SMILES notation for 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile?
The canonical SMILES for 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile is COc1cc(C#N)cc2[nH]c(C(C)C)cc12.
What is the InChIKey of 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile?
The InChIKey is DTDPGUCUPJSKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8(2)11-6-10-12(15-11)4-9(7-14)5-13(10)16-3/h4-6,8,15H,1-3H3.
What are the key properties of 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile?
4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile is sourced from PubChem (CID 164812254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).