2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile

C13H14N2O — CID 115563251

IUPAC2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
SMILESCC(C)Oc1cccc2[nH]cc(CC#N)c12
InChIInChI=1S/C13H14N2O/c1-9(2)16-12-5-3-4-11-13(12)10(6-7-14)8-15-11/h3-5,8-9,15H,6H2,1-2H3
InChIKeyRKWYVVZMCBQGML-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile

2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile (PubChem CID 115563251) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
PubChem CID115563251
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile
SMILESCC(C)Oc1cccc2[nH]cc(CC#N)c12
InChIInChI=1S/C13H14N2O/c1-9(2)16-12-5-3-4-11-13(12)10(6-7-14)8-15-11/h3-5,8-9,15H,6H2,1-2H3
InChIKeyRKWYVVZMCBQGML-UHFFFAOYSA-N
XLogP3.02
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(4-propan-2-yloxy-1H-indol-3-yl)ethanamine
CID 131852240
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
(1R)-1-(4-propan-2-yloxy-1H-indol-3-yl)propan-1-ol
CID 83173271
4-methyl-1-(4-propan-2-yloxy-1H-indol-3-yl)pentan-1-one
CID 83163248
2,3-dimethyl-1-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 83163402
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
methyl 3-[3-(cyanomethyl)-1H-indol-4-yl]prop-2-enoate
CID 71403646
2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
CID 84789914
3-(2-ethylselanylethyl)-4-methoxy-1H-indole
CID 167475252
3-bromo-4-oxo-4-(4-propan-2-yloxy-1H-indol-3-yl)butanoic acid
CID 83164421
4-ethoxy-3-ethyl-1H-indole
CID 171816854
1-[[3-[2-(dimethylamino)ethyl]-1H-indol-4-yl]oxy]ethyl propan-2-yl carbonate
CID 176589120

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile?
The IUPAC name of 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile (CID 115563251) is 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile?
The canonical SMILES for 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile is CC(C)Oc1cccc2[nH]cc(CC#N)c12.
What is the InChIKey of 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile?
The InChIKey is RKWYVVZMCBQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9(2)16-12-5-3-4-11-13(12)10(6-7-14)8-15-11/h3-5,8-9,15H,6H2,1-2H3.
What are the key properties of 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile?
2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile has a molecular weight of 214.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxy-1H-indol-3-yl)acetonitrile is sourced from PubChem (CID 115563251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).