2-propoxy-1H-indole-3-carbonitrile

C12H12N2O — CID 142777137

IUPAC2-propoxy-1H-indole-3-carbonitrile
SMILESCCCOc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C12H12N2O/c1-2-7-15-12-10(8-13)9-5-3-4-6-11(9)14-12/h3-6,14H,2,7H2,1H3
InChIKeyKZZFQPVTUZRIFF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.83
Rot. Bonds3

About 2-propoxy-1H-indole-3-carbonitrile

2-propoxy-1H-indole-3-carbonitrile (PubChem CID 142777137) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-propoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name2-propoxy-1H-indole-3-carbonitrile
PubChem CID142777137
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-propoxy-1H-indole-3-carbonitrile
SMILESCCCOc1[nH]c2ccccc2c1C#N
InChIInChI=1S/C12H12N2O/c1-2-7-15-12-10(8-13)9-5-3-4-6-11(9)14-12/h3-6,14H,2,7H2,1H3
InChIKeyKZZFQPVTUZRIFF-UHFFFAOYSA-N
XLogP2.83
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propoxy-1H-indol-2-ol
CID 54179450
2-acetyl-1H-indole-3-carbonitrile
CID 10352353
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-[4-(ethylamino)phenyl]-1H-indole-3-carbonitrile
CID 141210513
3-methyl-1H-indole-2-carbonitrile
CID 593371
2-(2,2-dimethylpentylamino)-1H-indole-3-carbonitrile
CID 115146441
2-(iodomethyl)-1H-indole-3-carbonitrile
CID 54202927
2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]-1H-indole-3-carbonitrile
CID 95787524
2-[4-(2-methylpropyl)phenyl]-1H-indole-3-carbonitrile
CID 93189767
2-formyl-1H-indole-3-carbonitrile
CID 59277563
2-hexoxynaphthalene-1-carbonitrile
CID 22685453
2-(3-methylthiophen-2-yl)-1H-indole-3-carbonitrile
CID 172702505

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1H-indole-3-carbonitrile?
The IUPAC name of 2-propoxy-1H-indole-3-carbonitrile (CID 142777137) is 2-propoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 2-propoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 2-propoxy-1H-indole-3-carbonitrile is CCCOc1[nH]c2ccccc2c1C#N.
What is the InChIKey of 2-propoxy-1H-indole-3-carbonitrile?
The InChIKey is KZZFQPVTUZRIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-7-15-12-10(8-13)9-5-3-4-6-11(9)14-12/h3-6,14H,2,7H2,1H3.
What are the key properties of 2-propoxy-1H-indole-3-carbonitrile?
2-propoxy-1H-indole-3-carbonitrile has a molecular weight of 200.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 142777137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).