1-[(3-cyanophenyl)methyl]indole-4-carbonitrile

C17H11N3 — CID 107918998

IUPAC1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
SMILESN#Cc1cccc(Cn2ccc3c(C#N)cccc32)c1
InChIInChI=1S/C17H11N3/c18-10-13-3-1-4-14(9-13)12-20-8-7-16-15(11-19)5-2-6-17(16)20/h1-9H,12H2
InChIKeyXAWANMDLJQBFCM-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.43
Rot. Bonds2

About 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile

1-[(3-cyanophenyl)methyl]indole-4-carbonitrile (PubChem CID 107918998) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
PubChem CID107918998
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
SMILESN#Cc1cccc(Cn2ccc3c(C#N)cccc32)c1
InChIInChI=1S/C17H11N3/c18-10-13-3-1-4-14(9-13)12-20-8-7-16-15(11-19)5-2-6-17(16)20/h1-9H,12H2
InChIKeyXAWANMDLJQBFCM-UHFFFAOYSA-N
XLogP3.43
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-cyanoindol-1-yl)methyl]benzoic acid
CID 107918513
1-[(2-chloro-4-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918981
1-[(4-aminophenyl)methyl]indole-4-carbonitrile
CID 107918478
1-[(3-bromo-4-fluorophenyl)methyl]indole-4-carbonitrile
CID 107919238
1-[(3-cyanophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 103893869
1-[(3-bromo-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107918956
1-[(3-fluoro-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107919109
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
3-[[4-[(2,5-dioxo-1,3-thiazolidin-4-ylidene)methyl]indol-1-yl]methyl]benzonitrile
CID 67698636
3-[[4-(4-methylidene-2,5-dioxo-1,3-thiazolidin-3-yl)indol-1-yl]methyl]benzonitrile
CID 22439888
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
1-(3-phenylpropyl)indole-4-carbonitrile
CID 107918950

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile (CID 107918998) is 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile is N#Cc1cccc(Cn2ccc3c(C#N)cccc32)c1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile?
The InChIKey is XAWANMDLJQBFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-10-13-3-1-4-14(9-13)12-20-8-7-16-15(11-19)5-2-6-17(16)20/h1-9H,12H2.
What are the key properties of 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile?
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107918998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).