potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide

C12H11KNO3- — CID 59027888

IUPACpotassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
SMILES[CH2-]C1(C([NH-])=O)Cc2ccc(C(=O)O)cc2C1.[K+]
InChIInChI=1S/C12H12NO3.K/c1-12(11(13)16)5-8-3-2-7(10(14)15)4-9(8)6-12;/h2-4H,1,5-6H2,(H3,13,14,15,16);/q-1;+1/p-1
InChIKeyCQGQYTNJGQZXGH-UHFFFAOYSA-M
MW256.32 g/mol
LogP-1.11
Rot. Bonds2

About potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide

potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide (PubChem CID 59027888) has the molecular formula C12H11KNO3- and a molecular weight of 256.32 g/mol. Its IUPAC name is potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide.

Molecular Properties

Compound Namepotassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
PubChem CID59027888
Molecular FormulaC12H11KNO3-
Molecular Weight256.32 g/mol
Exact Mass256.04
IUPAC Namepotassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
SMILES[CH2-]C1(C([NH-])=O)Cc2ccc(C(=O)O)cc2C1.[K+]
InChIInChI=1S/C12H12NO3.K/c1-12(11(13)16)5-8-3-2-7(10(14)15)4-9(8)6-12;/h2-4H,1,5-6H2,(H3,13,14,15,16);/q-1;+1/p-1
InChIKeyCQGQYTNJGQZXGH-UHFFFAOYSA-M
XLogP-1.11
TPSA78.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide?
The IUPAC name of potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide (CID 59027888) is potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide.
What is the SMILES notation for potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide?
The canonical SMILES for potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide is [CH2-]C1(C([NH-])=O)Cc2ccc(C(=O)O)cc2C1.[K+].
What is the InChIKey of potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide?
The InChIKey is CQGQYTNJGQZXGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12NO3.K/c1-12(11(13)16)5-8-3-2-7(10(14)15)4-9(8)6-12;/h2-4H,1,5-6H2,(H3,13,14,15,16);/q-1;+1/p-1.
What are the key properties of potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide?
potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide has a molecular weight of 256.32 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide is sourced from PubChem (CID 59027888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).