(113C)methanone

CH2O — CID 11029752

IUPAC(113C)methanone
SMILES[13CH2]=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1+1
InChIKeyWSFSSNUMVMOOMR-OUBTZVSYSA-N
MW31.02 g/mol
LogP-0.18
Rot. Bonds

About (113C)methanone

(113C)methanone (PubChem CID 11029752) has the molecular formula CH2O and a molecular weight of 31.02 g/mol. Its IUPAC name is (113C)methanone.

Molecular Properties

Compound Name(113C)methanone
PubChem CID11029752
Molecular FormulaCH2O
Molecular Weight31.02 g/mol
Exact Mass31.01
IUPAC Name(113C)methanone
SMILES[13CH2]=O
InChIInChI=1S/CH2O/c1-2/h1H2/i1+1
InChIKeyWSFSSNUMVMOOMR-OUBTZVSYSA-N
XLogP-0.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50031.02
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (113C)methanone?
The IUPAC name of (113C)methanone (CID 11029752) is (113C)methanone.
What is the SMILES notation for (113C)methanone?
The canonical SMILES for (113C)methanone is [13CH2]=O.
What is the InChIKey of (113C)methanone?
The InChIKey is WSFSSNUMVMOOMR-OUBTZVSYSA-N. The full InChI is InChI=1S/CH2O/c1-2/h1H2/i1+1.
What are the key properties of (113C)methanone?
(113C)methanone has a molecular weight of 31.02 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (113C)methanone is sourced from PubChem (CID 11029752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).