3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile

C13H14N2O2 — CID 82495071

IUPAC3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
SMILESCOc1cc(OC)c2[nH]cc(CCC#N)c2c1
InChIInChI=1S/C13H14N2O2/c1-16-10-6-11-9(4-3-5-14)8-15-13(11)12(7-10)17-2/h6-8,15H,3-4H2,1-2H3
InChIKeyPQYZLSOEOFKUES-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.64
Rot. Bonds4

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

3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile (PubChem CID 82495071) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
PubChem CID82495071
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile
SMILESCOc1cc(OC)c2[nH]cc(CCC#N)c2c1
InChIInChI=1S/C13H14N2O2/c1-16-10-6-11-9(4-3-5-14)8-15-13(11)12(7-10)17-2/h6-8,15H,3-4H2,1-2H3
InChIKeyPQYZLSOEOFKUES-UHFFFAOYSA-N
XLogP2.64
TPSA58.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
3-(5,7-dimethoxy-1-methylindol-3-yl)propanenitrile
CID 82497571
5,7-dimethoxy-1H-indol-3-amine
CID 82402843
2-(5-fluoro-7-methoxy-1H-indol-3-yl)ethanamine
CID 18702266
2-(7-methoxy-1H-indol-3-yl)acetonitrile
CID 604224
N,N-diethyl-2-(5-methoxy-7-methyl-1H-indol-3-yl)ethanamine
CID 168946783
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
N,N-diethyl-2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethanamine
CID 166158001
2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
CID 166518306
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
3-(7-bromo-1H-indol-3-yl)propanenitrile
CID 76846698
N-[2-(7-fluoro-5-methoxy-1H-indol-3-yl)ethyl]-N-methylpropan-1-amine
CID 166158101

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile?
The IUPAC name of 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile (CID 82495071) is 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile.
What is the SMILES notation for 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile?
The canonical SMILES for 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile is COc1cc(OC)c2[nH]cc(CCC#N)c2c1.
What is the InChIKey of 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile?
The InChIKey is PQYZLSOEOFKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-16-10-6-11-9(4-3-5-14)8-15-13(11)12(7-10)17-2/h6-8,15H,3-4H2,1-2H3.
What are the key properties of 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile?
3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile has a molecular weight of 230.27 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethoxy-1H-indol-3-yl)propanenitrile is sourced from PubChem (CID 82495071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).