3-ethyl-2-methyl-1H-indole-6-carbonitrile

C12H12N2 — CID 143660635

IUPAC3-ethyl-2-methyl-1H-indole-6-carbonitrile
SMILESCCc1c(C)[nH]c2cc(C#N)ccc12
InChIInChI=1S/C12H12N2/c1-3-10-8(2)14-12-6-9(7-13)4-5-11(10)12/h4-6,14H,3H2,1-2H3
InChIKeyCUJINDPFXKIPGW-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.91
Rot. Bonds1

About 3-ethyl-2-methyl-1H-indole-6-carbonitrile

3-ethyl-2-methyl-1H-indole-6-carbonitrile (PubChem CID 143660635) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-ethyl-2-methyl-1H-indole-6-carbonitrile
PubChem CID143660635
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name3-ethyl-2-methyl-1H-indole-6-carbonitrile
SMILESCCc1c(C)[nH]c2cc(C#N)ccc12
InChIInChI=1S/C12H12N2/c1-3-10-8(2)14-12-6-9(7-13)4-5-11(10)12/h4-6,14H,3H2,1-2H3
InChIKeyCUJINDPFXKIPGW-UHFFFAOYSA-N
XLogP2.91
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-heptyl-2-methyl-4-oxo-1H-quinoline-7-carbonitrile
CID 46234684
2,3-dimethyl-1H-indole-5-carbonitrile
CID 15483079
9-ethyl-6,6,8-trimethyl-11-methylidene-5H-benzo[b]carbazole-3-carbonitrile
CID 134375530
(2,6-dimethyl-1H-indol-3-yl)methanamine
CID 82411351
3-(chloromethyl)-2,6-dimethyl-1H-indole
CID 130049399
7-methoxy-9H-carbazole-2-carbonitrile
CID 10775390
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
2-ethyl-3H-benzimidazole-5-carbonitrile
CID 70184762
N-[(4-cyanophenyl)methyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide
CID 46591179
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
2-(6-ethyl-2-methyl-1H-indol-3-yl)ethanamine
CID 84670916
9H-pyrido[3,4-b]indole-7-carbonitrile
CID 22185223

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1H-indole-6-carbonitrile?
The IUPAC name of 3-ethyl-2-methyl-1H-indole-6-carbonitrile (CID 143660635) is 3-ethyl-2-methyl-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-ethyl-2-methyl-1H-indole-6-carbonitrile?
The canonical SMILES for 3-ethyl-2-methyl-1H-indole-6-carbonitrile is CCc1c(C)[nH]c2cc(C#N)ccc12.
What is the InChIKey of 3-ethyl-2-methyl-1H-indole-6-carbonitrile?
The InChIKey is CUJINDPFXKIPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-10-8(2)14-12-6-9(7-13)4-5-11(10)12/h4-6,14H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1H-indole-6-carbonitrile?
3-ethyl-2-methyl-1H-indole-6-carbonitrile has a molecular weight of 184.24 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1H-indole-6-carbonitrile is sourced from PubChem (CID 143660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).