(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile

C15H10N2O — CID 164576071

IUPAC(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10N2O/c16-10-12(8-13-5-3-7-18-13)15-9-11-4-1-2-6-14(11)17-15/h1-9,17H/b12-8+
InChIKeyULCIWXUXRHWMJP-XYOKQWHBSA-N
MW234.26 g/mol
LogP3.83
Rot. Bonds2

About (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile

(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile (PubChem CID 164576071) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile
PubChem CID164576071
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10N2O/c16-10-12(8-13-5-3-7-18-13)15-9-11-4-1-2-6-14(11)17-15/h1-9,17H/b12-8+
InChIKeyULCIWXUXRHWMJP-XYOKQWHBSA-N
XLogP3.83
TPSA52.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
CID 21230617
(Z)-3-(2-chlorophenyl)-2-(1H-indol-2-yl)prop-2-enenitrile
CID 155927974
(Z)-3-(4-bromophenyl)-2-(1H-indol-2-yl)prop-2-enenitrile
CID 155927977
2-(1H-indol-2-yl)-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
CID 76537066
(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile
CID 6299125
(E)-N-[(Z)-4-cyano-4-(1H-indol-2-yl)but-3-enyl]-N-methylbut-2-enamide
CID 11022736
(E)-3-(furan-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695689
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
CID 3752983
(Z)-2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enenitrile
CID 7070992
CID 58100929
CID 58100929
ethyl 2-[5-cyano-2-[1-cyano-2-(furan-2-yl)ethenyl]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135503432
(E)-3-(1-benzofuran-2-yl)-2-(1H-imidazo[4,5-b]pyridin-2-yl)prop-2-enenitrile
CID 163359869

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile (CID 164576071) is (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccco1)c1cc2ccccc2[nH]1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile?
The InChIKey is ULCIWXUXRHWMJP-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H10N2O/c16-10-12(8-13-5-3-7-18-13)15-9-11-4-1-2-6-14(11)17-15/h1-9,17H/b12-8+.
What are the key properties of (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile?
(Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile has a molecular weight of 234.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-(1H-indol-2-yl)prop-2-enenitrile is sourced from PubChem (CID 164576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).