(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile

C14H9N3O — CID 11447681

IUPAC(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H9N3O/c15-8-9-3-4-13-11(6-9)12(14(18)17-13)7-10-2-1-5-16-10/h1-7,16H,(H,17,18)/b12-7-
InChIKeyOZZRIFBHIKSSHK-GHXNOFRVSA-N
MW235.25 g/mol
LogP2.38
Rot. Bonds1

About (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile

(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile (PubChem CID 11447681) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile
PubChem CID11447681
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
InChIInChI=1S/C14H9N3O/c15-8-9-3-4-13-11(6-9)12(14(18)17-13)7-10-2-1-5-16-10/h1-7,16H,(H,17,18)/b12-7-
InChIKeyOZZRIFBHIKSSHK-GHXNOFRVSA-N
XLogP2.38
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile?
The IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile (CID 11447681) is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile.
What is the SMILES notation for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile?
The canonical SMILES for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile is N#Cc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2.
What is the InChIKey of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile?
The InChIKey is OZZRIFBHIKSSHK-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H9N3O/c15-8-9-3-4-13-11(6-9)12(14(18)17-13)7-10-2-1-5-16-10/h1-7,16H,(H,17,18)/b12-7-.
What are the key properties of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile?
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carbonitrile is sourced from PubChem (CID 11447681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).