CID 151321880

C12H8O2 — CID 151321880

IUPAC—
SMILESO=C=C1CC(=C=O)c2ccccc2C1
InChIInChI=1S/C12H8O2/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-4H,5-6H2
InChIKeyOGQCUXTZMSBROY-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.61
Rot. Bonds

About CID 151321880

CID 151321880 (PubChem CID 151321880) has the molecular formula C12H8O2 and a molecular weight of 184.19 g/mol.

Molecular Properties

Compound NameCID 151321880
PubChem CID151321880
Molecular FormulaC12H8O2
Molecular Weight184.19 g/mol
Exact Mass184.05
IUPAC Name—
SMILESO=C=C1CC(=C=O)c2ccccc2C1
InChIInChI=1S/C12H8O2/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-4H,5-6H2
InChIKeyOGQCUXTZMSBROY-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
ethene;9H-fluorene
CID 159544077
azane;9H-fluorene;hydrobromide
CID 174352852
9H-fluorene;sulfane;hydrate
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tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
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Frequently Asked Questions

What is the IUPAC name of CID 151321880?
The IUPAC name of CID 151321880 (CID 151321880) is not available.
What is the SMILES notation for CID 151321880?
The canonical SMILES for CID 151321880 is O=C=C1CC(=C=O)c2ccccc2C1.
What is the InChIKey of CID 151321880?
The InChIKey is OGQCUXTZMSBROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O2/c13-7-9-5-10-3-1-2-4-12(10)11(6-9)8-14/h1-4H,5-6H2.
What are the key properties of CID 151321880?
CID 151321880 has a molecular weight of 184.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151321880 is sourced from PubChem (CID 151321880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).