2-amino-1,5-dimethylindole-3-carbonitrile

C11H11N3 — CID 21025755

IUPAC2-amino-1,5-dimethylindole-3-carbonitrile
SMILESCc1ccc2c(c1)c(C#N)c(N)n2C
InChIInChI=1S/C11H11N3/c1-7-3-4-10-8(5-7)9(6-12)11(13)14(10)2/h3-5H,13H2,1-2H3
InChIKeyRZCRSDUJNKKTAX-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.94
Rot. Bonds

About 2-amino-1,5-dimethylindole-3-carbonitrile

2-amino-1,5-dimethylindole-3-carbonitrile (PubChem CID 21025755) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-amino-1,5-dimethylindole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1,5-dimethylindole-3-carbonitrile
PubChem CID21025755
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-amino-1,5-dimethylindole-3-carbonitrile
SMILESCc1ccc2c(c1)c(C#N)c(N)n2C
InChIInChI=1S/C11H11N3/c1-7-3-4-10-8(5-7)9(6-12)11(13)14(10)2/h3-5H,13H2,1-2H3
InChIKeyRZCRSDUJNKKTAX-UHFFFAOYSA-N
XLogP1.94
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-(4-hydroxy-3,5-dimethoxyphenoxy)-1-methylindole-3-carbonitrile
CID 22180689
1,2,5-trimethylindole-3-thiol
CID 142076478
CID 166142135
CID 166142135
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
3-(1,2,5-trimethylindol-3-yl)propanenitrile
CID 82492674
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
1-bromo-3,6,9-trimethylcarbazole
CID 174908796
5,8-dimethyl-4-oxopyrano[3,2-b]indole-2-carbonitrile
CID 12628424
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2-chloro-1-[(4-fluorophenyl)methyl]-5-methylindole-3-carbonitrile
CID 82268508
2-isocyano-6,9-dimethylcarbazole
CID 158421593

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,5-dimethylindole-3-carbonitrile?
The IUPAC name of 2-amino-1,5-dimethylindole-3-carbonitrile (CID 21025755) is 2-amino-1,5-dimethylindole-3-carbonitrile.
What is the SMILES notation for 2-amino-1,5-dimethylindole-3-carbonitrile?
The canonical SMILES for 2-amino-1,5-dimethylindole-3-carbonitrile is Cc1ccc2c(c1)c(C#N)c(N)n2C.
What is the InChIKey of 2-amino-1,5-dimethylindole-3-carbonitrile?
The InChIKey is RZCRSDUJNKKTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7-3-4-10-8(5-7)9(6-12)11(13)14(10)2/h3-5H,13H2,1-2H3.
What are the key properties of 2-amino-1,5-dimethylindole-3-carbonitrile?
2-amino-1,5-dimethylindole-3-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,5-dimethylindole-3-carbonitrile is sourced from PubChem (CID 21025755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).