2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile

C13H14N2O2 — CID 82495076

IUPAC2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile
SMILESCOc1cc(OC)c2c(CC#N)cn(C)c2c1
InChIInChI=1S/C13H14N2O2/c1-15-8-9(4-5-14)13-11(15)6-10(16-2)7-12(13)17-3/h6-8H,4H2,1-3H3
InChIKeyYFPQBTRHIUXTRQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.26
Rot. Bonds3

About 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile

2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile (PubChem CID 82495076) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile
PubChem CID82495076
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile
SMILESCOc1cc(OC)c2c(CC#N)cn(C)c2c1
InChIInChI=1S/C13H14N2O2/c1-15-8-9(4-5-14)13-11(15)6-10(16-2)7-12(13)17-3/h6-8H,4H2,1-3H3
InChIKeyYFPQBTRHIUXTRQ-UHFFFAOYSA-N
XLogP2.26
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675836
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile
CID 82497571
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279
2-(6-chloro-1-methylindol-3-yl)acetonitrile
CID 75355671
2-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)acetonitrile
CID 117282299
2-(2-bromo-5-methoxy-3-pyridinyl)acetonitrile
CID 118993932
4-(cyanomethyl)-5-fluoro-2-methoxybenzonitrile
CID 171031195
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
2-[(2,4,6-trimethoxyphenyl)methylamino]acetonitrile
CID 115131011
2-(2,4,6-trimethoxyphenyl)sulfanylacetonitrile
CID 116853829

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile?
The IUPAC name of 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile (CID 82495076) is 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile?
The canonical SMILES for 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile is COc1cc(OC)c2c(CC#N)cn(C)c2c1.
What is the InChIKey of 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile?
The InChIKey is YFPQBTRHIUXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15-8-9(4-5-14)13-11(15)6-10(16-2)7-12(13)17-3/h6-8H,4H2,1-3H3.
What are the key properties of 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile?
2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile has a molecular weight of 230.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile is sourced from PubChem (CID 82495076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).