(111C)methanedione

CO2 — CID 10197607

IUPAC(111C)methanedione
SMILESO=[11C]=O
InChIInChI=1S/CO2/c2-1-3/i1-1
InChIKeyCURLTUGMZLYLDI-BJUDXGSMSA-N
MW43.01 g/mol
LogP-0.58
Rot. Bonds

About (111C)methanedione

(111C)methanedione (PubChem CID 10197607) has the molecular formula CO2 and a molecular weight of 43.01 g/mol. Its IUPAC name is (111C)methanedione.

Molecular Properties

Compound Name(111C)methanedione
PubChem CID10197607
Molecular FormulaCO2
Molecular Weight43.01 g/mol
Exact Mass43.00
IUPAC Name(111C)methanedione
SMILESO=[11C]=O
InChIInChI=1S/CO2/c2-1-3/i1-1
InChIKeyCURLTUGMZLYLDI-BJUDXGSMSA-N
XLogP-0.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50043.01
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (111C)methanedione?
The IUPAC name of (111C)methanedione (CID 10197607) is (111C)methanedione.
What is the SMILES notation for (111C)methanedione?
The canonical SMILES for (111C)methanedione is O=[11C]=O.
What is the InChIKey of (111C)methanedione?
The InChIKey is CURLTUGMZLYLDI-BJUDXGSMSA-N. The full InChI is InChI=1S/CO2/c2-1-3/i1-1.
What are the key properties of (111C)methanedione?
(111C)methanedione has a molecular weight of 43.01 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (111C)methanedione is sourced from PubChem (CID 10197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).