3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile

C14H16N2O2 — CID 82497571

IUPAC3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile
SMILESCOc1cc(OC)c2c(c1)c(CCC#N)cn2C
InChIInChI=1S/C14H16N2O2/c1-16-9-10(5-4-6-15)12-7-11(17-2)8-13(18-3)14(12)16/h7-9H,4-5H2,1-3H3
InChIKeyYVGSGXAXJPLVFY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.65
Rot. Bonds4

About 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile

3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile (PubChem CID 82497571) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile
PubChem CID82497571
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile
SMILESCOc1cc(OC)c2c(c1)c(CCC#N)cn2C
InChIInChI=1S/C14H16N2O2/c1-16-9-10(5-4-6-15)12-7-11(17-2)8-13(18-3)14(12)16/h7-9H,4-5H2,1-3H3
InChIKeyYVGSGXAXJPLVFY-UHFFFAOYSA-N
XLogP2.65
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,7-dimethoxy-1-methylindol-3-yl)propanoic acid
CID 82501282
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
CID 82495071
2-(4,6-dimethoxy-1-methylindol-3-yl)acetonitrile
CID 82495076
[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82500584
3-(2,5-dimethoxy-4-methylsulfanylphenyl)propanenitrile
CID 116927396
3-(2-hydroxy-5-methoxyphenyl)propanenitrile
CID 130773609
3-cyano-N-(2,4,6-trimethoxyphenyl)propanamide
CID 21469465
3-(2-bromo-5-methoxy-4-methylphenyl)propanenitrile
CID 68530926
3-(2-chloro-3,4-dimethoxyphenyl)propanenitrile
CID 142496645
2-(4,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675836
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
3-[methyl-[(2,4,6-trimethoxyphenyl)methyl]amino]propanenitrile
CID 115231000

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile?
The IUPAC name of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile (CID 82497571) is 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile.
What is the SMILES notation for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile?
The canonical SMILES for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile is COc1cc(OC)c2c(c1)c(CCC#N)cn2C.
What is the InChIKey of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile?
The InChIKey is YVGSGXAXJPLVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-10(5-4-6-15)12-7-11(17-2)8-13(18-3)14(12)16/h7-9H,4-5H2,1-3H3.
What are the key properties of 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile?
3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile has a molecular weight of 244.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile is sourced from PubChem (CID 82497571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).