1-prop-2-enylindole-6-carbonitrile

C12H10N2 — CID 107917180

IUPAC1-prop-2-enylindole-6-carbonitrile
SMILESC=CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C12H10N2/c1-2-6-14-7-5-11-4-3-10(9-13)8-12(11)14/h2-5,7-8H,1,6H2
InChIKeyYZXOKYXAFYIOMZ-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.70
Rot. Bonds2

About 1-prop-2-enylindole-6-carbonitrile

1-prop-2-enylindole-6-carbonitrile (PubChem CID 107917180) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-prop-2-enylindole-6-carbonitrile.

Molecular Properties

Compound Name1-prop-2-enylindole-6-carbonitrile
PubChem CID107917180
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-prop-2-enylindole-6-carbonitrile
SMILESC=CCn1ccc2ccc(C#N)cc21
InChIInChI=1S/C12H10N2/c1-2-6-14-7-5-11-4-3-10(9-13)8-12(11)14/h2-5,7-8H,1,6H2
InChIKeyYZXOKYXAFYIOMZ-UHFFFAOYSA-N
XLogP2.70
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pent-4-enylindole-6-carbonitrile
CID 107917054
cobalt;1-ethylindole-6-carbonitrile
CID 58657427
1-(3-hydroxypropyl)indole-6-carbonitrile
CID 15490884
ethanol;1-ethylindole-6-carbonitrile
CID 143239367
1-(2-ethylbutyl)indole-6-carbonitrile
CID 114015638
1-(2-propan-2-yloxyethyl)indole-6-carbonitrile
CID 107917142
1-(pyridin-4-ylmethyl)indole-6-carbonitrile
CID 107916985
1-(2-propylsulfonylethyl)indole-6-carbonitrile
CID 107917116
1-(naphthalen-2-ylmethyl)indole-6-carbonitrile
CID 91690044
1-[(1-methylpyrazol-3-yl)methyl]indole-6-carbonitrile
CID 107917098
1-(3-methyl-2-oxobutyl)indole-6-carbonitrile
CID 107916815
3-prop-2-enylbenzotriazole-5-carbonitrile
CID 134298460

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylindole-6-carbonitrile?
The IUPAC name of 1-prop-2-enylindole-6-carbonitrile (CID 107917180) is 1-prop-2-enylindole-6-carbonitrile.
What is the SMILES notation for 1-prop-2-enylindole-6-carbonitrile?
The canonical SMILES for 1-prop-2-enylindole-6-carbonitrile is C=CCn1ccc2ccc(C#N)cc21.
What is the InChIKey of 1-prop-2-enylindole-6-carbonitrile?
The InChIKey is YZXOKYXAFYIOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-6-14-7-5-11-4-3-10(9-13)8-12(11)14/h2-5,7-8H,1,6H2.
What are the key properties of 1-prop-2-enylindole-6-carbonitrile?
1-prop-2-enylindole-6-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylindole-6-carbonitrile is sourced from PubChem (CID 107917180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).