sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride

C20H15Cl2N2NaO3 — CID 173295080

IUPACsodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride
SMILESO=C1NCCC1=C(c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12.[H-].[Na+]
InChIInChI=1S/C20H14Cl2N2O3.Na.H/c21-11-8-13(22)16-14(9-11)24-18(20(26)27)17(16)15(10-4-2-1-3-5-10)12-6-7-23-19(12)25;;/h1-5,8-9,24H,6-7H2,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyZBANXRBMDTUVIT-UHFFFAOYSA-N
MW425.25 g/mol
LogP1.61
Rot. Bonds3

About sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride

sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride (PubChem CID 173295080) has the molecular formula C20H15Cl2N2NaO3 and a molecular weight of 425.25 g/mol. Its IUPAC name is sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride
PubChem CID173295080
Molecular FormulaC20H15Cl2N2NaO3
Molecular Weight425.25 g/mol
Exact Mass424.04
IUPAC Namesodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride
SMILESO=C1NCCC1=C(c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12.[H-].[Na+]
InChIInChI=1S/C20H14Cl2N2O3.Na.H/c21-11-8-13(22)16-14(9-11)24-18(20(26)27)17(16)15(10-4-2-1-3-5-10)12-6-7-23-19(12)25;;/h1-5,8-9,24H,6-7H2,(H,23,25)(H,26,27);;/q;+1;-1
InChIKeyZBANXRBMDTUVIT-UHFFFAOYSA-N
XLogP1.61
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride?
The IUPAC name of sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride (CID 173295080) is sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride.
What is the SMILES notation for sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride?
The canonical SMILES for sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride is O=C1NCCC1=C(c1ccccc1)c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12.[H-].[Na+].
What is the InChIKey of sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride?
The InChIKey is ZBANXRBMDTUVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O3.Na.H/c21-11-8-13(22)16-14(9-11)24-18(20(26)27)17(16)15(10-4-2-1-3-5-10)12-6-7-23-19(12)25;;/h1-5,8-9,24H,6-7H2,(H,23,25)(H,26,27);;/q;+1;-1.
What are the key properties of sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride?
sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride has a molecular weight of 425.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4,6-dichloro-3-[(2-oxopyrrolidin-3-ylidene)-phenylmethyl]-1H-indole-2-carboxylic acid;hydride is sourced from PubChem (CID 173295080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).