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

C14H10N2O3 — CID 23644715

IUPAC(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-
InChIKeyAAUBJZPZEKVWOC-XFFZJAGNSA-N
MW254.25 g/mol
LogP2.21
Rot. Bonds2

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

(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid (PubChem CID 23644715) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid
PubChem CID23644715
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid
SMILESO=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ccc[nH]1
InChIInChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-
InChIKeyAAUBJZPZEKVWOC-XFFZJAGNSA-N
XLogP2.21
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.21
H-Bond Donors ≤ 53
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-carboxylic acid?
The IUPAC name of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid (CID 23644715) is (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid.
What is the SMILES notation for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid?
The canonical SMILES for (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid is O=C1Nc2ccc(C(=O)O)cc2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid?
The InChIKey is AAUBJZPZEKVWOC-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-.
What are the key properties of (3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid?
(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 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-carboxylic acid is sourced from PubChem (CID 23644715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).