3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile

C18H11N3O — CID 69351268

IUPAC3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C18H11N3O/c19-9-11-5-6-16-14(7-11)12(10-20-16)8-15-13-3-1-2-4-17(13)21-18(15)22/h1-8,10,20H,(H,21,22)
InChIKeyLDYRSIIENOWHSN-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.53
Rot. Bonds1

About 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile

3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile (PubChem CID 69351268) has the molecular formula C18H11N3O and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile
PubChem CID69351268
Molecular FormulaC18H11N3O
Molecular Weight285.31 g/mol
Exact Mass285.09
IUPAC Name3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C18H11N3O/c19-9-11-5-6-16-14(7-11)12(10-20-16)8-15-13-3-1-2-4-17(13)21-18(15)22/h1-8,10,20H,(H,21,22)
InChIKeyLDYRSIIENOWHSN-UHFFFAOYSA-N
XLogP3.53
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile (CID 69351268) is 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1.
What is the InChIKey of 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile?
The InChIKey is LDYRSIIENOWHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O/c19-9-11-5-6-16-14(7-11)12(10-20-16)8-15-13-3-1-2-4-17(13)21-18(15)22/h1-8,10,20H,(H,21,22).
What are the key properties of 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile?
3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile has a molecular weight of 285.31 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 69351268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).