2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile

C13H14N2O2 — CID 82495069

IUPAC2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
SMILESCOc1ccc(OC)c2c(CC#N)c(C)[nH]c12
InChIInChI=1S/C13H14N2O2/c1-8-9(6-7-14)12-10(16-2)4-5-11(17-3)13(12)15-8/h4-5,15H,6H2,1-3H3
InChIKeyFQPKMNSLVPFEAO-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.56
Rot. Bonds3

About 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile

2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile (PubChem CID 82495069) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
PubChem CID82495069
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile
SMILESCOc1ccc(OC)c2c(CC#N)c(C)[nH]c12
InChIInChI=1S/C13H14N2O2/c1-8-9(6-7-14)12-10(16-2)4-5-11(17-3)13(12)15-8/h4-5,15H,6H2,1-3H3
InChIKeyFQPKMNSLVPFEAO-UHFFFAOYSA-N
XLogP2.56
TPSA58.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)-N-methylmethanamine
CID 82496369
2-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)acetonitrile
CID 82492794
2-(6-chloro-8-methoxy-2,5-dimethyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82248573
2-(2,4,5,6,7-pentamethyl-1H-indol-3-yl)acetonitrile
CID 22970446
3-(5-chloro-8-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82248574
2-(4-methoxy-2,7-dimethyl-1H-indol-3-yl)ethanamine
CID 105472778
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
7-chloro-4-methoxy-2-methyl-1H-indole-3-carbonitrile
CID 82494210
3-(7-methoxy-2,4-dimethyl-1H-indol-3-yl)propan-1-ol
CID 82496131
1-(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)propan-2-amine
CID 82499491

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile (CID 82495069) is 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile is COc1ccc(OC)c2c(CC#N)c(C)[nH]c12.
What is the InChIKey of 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile?
The InChIKey is FQPKMNSLVPFEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-9(6-7-14)12-10(16-2)4-5-11(17-3)13(12)15-8/h4-5,15H,6H2,1-3H3.
What are the key properties of 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile?
2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile has a molecular weight of 230.27 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethoxy-2-methyl-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 82495069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).