CID 59094608

C12H10NOY- — CID 59094608

IUPAC—
SMILESCc1cn2c3c(c[c-]cc3c1=O)CC2.[Y]
InChIInChI=1S/C12H10NO.Y/c1-8-7-13-6-5-9-3-2-4-10(11(9)13)12(8)14;/h3-4,7H,5-6H2,1H3;/q-1;
InChIKeyMEICZQSBCFYSET-UHFFFAOYSA-N
MW273.12 g/mol
LogP1.66
Rot. Bonds

About CID 59094608

CID 59094608 (PubChem CID 59094608) has the molecular formula C12H10NOY- and a molecular weight of 273.12 g/mol.

Molecular Properties

Compound NameCID 59094608
PubChem CID59094608
Molecular FormulaC12H10NOY-
Molecular Weight273.12 g/mol
Exact Mass272.98
IUPAC Name—
SMILESCc1cn2c3c(c[c-]cc3c1=O)CC2.[Y]
InChIInChI=1S/C12H10NO.Y/c1-8-7-13-6-5-9-3-2-4-10(11(9)13)12(8)14;/h3-4,7H,5-6H2,1H3;/q-1;
InChIKeyMEICZQSBCFYSET-UHFFFAOYSA-N
XLogP1.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 51.66
H-Bond Donors ≤ 50
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 CID 59094608?
The IUPAC name of CID 59094608 (CID 59094608) is not available.
What is the SMILES notation for CID 59094608?
The canonical SMILES for CID 59094608 is Cc1cn2c3c(c[c-]cc3c1=O)CC2.[Y].
What is the InChIKey of CID 59094608?
The InChIKey is MEICZQSBCFYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10NO.Y/c1-8-7-13-6-5-9-3-2-4-10(11(9)13)12(8)14;/h3-4,7H,5-6H2,1H3;/q-1;.
What are the key properties of CID 59094608?
CID 59094608 has a molecular weight of 273.12 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59094608 is sourced from PubChem (CID 59094608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).