2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile

C21H14N2O2 — CID 655624

IUPAC2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C21H14N2O2/c22-12-15-6-1-2-7-16(15)13-23-14-18(17-8-3-4-9-19(17)23)21(24)20-10-5-11-25-20/h1-11,14H,13H2
InChIKeyYJZSYNXIAKTQNZ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.39
Rot. Bonds4

About 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile

2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile (PubChem CID 655624) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile
PubChem CID655624
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C21H14N2O2/c22-12-15-6-1-2-7-16(15)13-23-14-18(17-8-3-4-9-19(17)23)21(24)20-10-5-11-25-20/h1-11,14H,13H2
InChIKeyYJZSYNXIAKTQNZ-UHFFFAOYSA-N
XLogP4.39
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile (CID 655624) is 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile is N#Cc1ccccc1Cn1cc(C(=O)c2ccco2)c2ccccc21.
What is the InChIKey of 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile?
The InChIKey is YJZSYNXIAKTQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c22-12-15-6-1-2-7-16(15)13-23-14-18(17-8-3-4-9-19(17)23)21(24)20-10-5-11-25-20/h1-11,14H,13H2.
What are the key properties of 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile?
2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile has a molecular weight of 326.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(furan-2-carbonyl)indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 655624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).