(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile

C19H16N2O2 — CID 86303308

IUPAC(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
SMILESCOc1cc(OC)cc(/C(C#N)=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-22-16-8-13(9-17(10-16)23-2)14(11-20)7-15-12-21-19-6-4-3-5-18(15)19/h3-10,12,21H,1-2H3/b14-7+
InChIKeyOOWIFBNETKXILE-VGOFMYFVSA-N
MW304.35 g/mol
LogP4.25
Rot. Bonds4

About (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile

(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile (PubChem CID 86303308) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
PubChem CID86303308
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
SMILESCOc1cc(OC)cc(/C(C#N)=C/c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N2O2/c1-22-16-8-13(9-17(10-16)23-2)14(11-20)7-15-12-21-19-6-4-3-5-18(15)19/h3-10,12,21H,1-2H3/b14-7+
InChIKeyOOWIFBNETKXILE-VGOFMYFVSA-N
XLogP4.25
TPSA58.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile (CID 86303308) is (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile is COc1cc(OC)cc(/C(C#N)=C/c2c[nH]c3ccccc23)c1.
What is the InChIKey of (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The InChIKey is OOWIFBNETKXILE-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-16-8-13(9-17(10-16)23-2)14(11-20)7-15-12-21-19-6-4-3-5-18(15)19/h3-10,12,21H,1-2H3/b14-7+.
What are the key properties of (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile?
(Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile has a molecular weight of 304.35 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,5-dimethoxyphenyl)-3-(1H-indol-3-yl)prop-2-enenitrile is sourced from PubChem (CID 86303308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).