2-amino-1-ethyl-6-methoxyindole-3-carbonitrile

C12H13N3O — CID 90970598

IUPAC2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(N)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C12H13N3O/c1-3-15-11-6-8(16-2)4-5-9(11)10(7-13)12(15)14/h4-6H,3,14H2,1-2H3
InChIKeyLNEZTXMNXGKAOU-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.12
Rot. Bonds2

About 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile

2-amino-1-ethyl-6-methoxyindole-3-carbonitrile (PubChem CID 90970598) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
PubChem CID90970598
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
SMILESCCn1c(N)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C12H13N3O/c1-3-15-11-6-8(16-2)4-5-9(11)10(7-13)12(15)14/h4-6H,3,14H2,1-2H3
InChIKeyLNEZTXMNXGKAOU-UHFFFAOYSA-N
XLogP2.12
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methoxy-2-thiophen-3-ylindole-3-carbonitrile
CID 58694271
1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile
CID 58694494
2-[(2E,4E)-5-aminohepta-2,4,6-trien-2-yl]-1-ethyl-6-methoxyindole-3-carbonitrile
CID 143511248
2-(1-benzothiophen-2-yl)-1-ethyl-6-methoxyindole-3-carbonitrile
CID 58694155
2-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenoxy]acetic acid
CID 59425469
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-N-methylmethanesulfonamide
CID 59425065
2-(4-aminophenyl)-1-ethyl-6-(2-methoxyethoxy)indole-3-carbonitrile
CID 59425879
1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
CID 58694338
2-(4-ethoxyphenyl)-1-ethyl-5-methoxyindole-3-carbonitrile
CID 58694355
1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
CID 70844613
1-ethyl-6-methoxy-2-[2-[4-(2-oxoimidazolidin-1-yl)phenyl]ethynyl]indole-3-carbonitrile
CID 59426440

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile?
The IUPAC name of 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile (CID 90970598) is 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile.
What is the SMILES notation for 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile?
The canonical SMILES for 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile is CCn1c(N)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile?
The InChIKey is LNEZTXMNXGKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-15-11-6-8(16-2)4-5-9(11)10(7-13)12(15)14/h4-6H,3,14H2,1-2H3.
What are the key properties of 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile?
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-6-methoxyindole-3-carbonitrile is sourced from PubChem (CID 90970598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).