CID 162324012

C10H10N2NaO2 — CID 162324012

IUPAC—
SMILESNC(=O)/C=C\C(=O)Nc1ccccc1.[Na]
InChIInChI=1S/C10H10N2O2.Na/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8;/h1-7H,(H2,11,13)(H,12,14);/b7-6-;
InChIKeyBMXFBLFVGCETGS-NAFXZHHSSA-N
MW213.19 g/mol
LogP0.29
Rot. Bonds3

About CID 162324012

CID 162324012 (PubChem CID 162324012) has the molecular formula C10H10N2NaO2 and a molecular weight of 213.19 g/mol.

Molecular Properties

Compound NameCID 162324012
PubChem CID162324012
Molecular FormulaC10H10N2NaO2
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name—
SMILESNC(=O)/C=C\C(=O)Nc1ccccc1.[Na]
InChIInChI=1S/C10H10N2O2.Na/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8;/h1-7H,(H2,11,13)(H,12,14);/b7-6-;
InChIKeyBMXFBLFVGCETGS-NAFXZHHSSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.29
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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Related Compounds

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(E)-N,3-diphenylprop-2-enamide;ethane
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methyl 4-[(4-amino-4-oxobut-2-enoyl)amino]benzoate
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4-anilino-4-oxobut-2-enoic acid;benzyl(trimethyl)azanium
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4-oxo-4-[4-(phenylsulfamoyl)anilino]but-2-enoic acid
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(E)-N'-(benzenesulfonyl)but-2-enediamide
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Frequently Asked Questions

What is the IUPAC name of CID 162324012?
The IUPAC name of CID 162324012 (CID 162324012) is not available.
What is the SMILES notation for CID 162324012?
The canonical SMILES for CID 162324012 is NC(=O)/C=C\C(=O)Nc1ccccc1.[Na].
What is the InChIKey of CID 162324012?
The InChIKey is BMXFBLFVGCETGS-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H10N2O2.Na/c11-9(13)6-7-10(14)12-8-4-2-1-3-5-8;/h1-7H,(H2,11,13)(H,12,14);/b7-6-;.
What are the key properties of CID 162324012?
CID 162324012 has a molecular weight of 213.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162324012 is sourced from PubChem (CID 162324012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).