methane;methanone

C2H5O- — CID 159005271

IUPACmethane;methanone
SMILESC.[CH-]=O
InChIInChI=1S/CHO.CH4/c1-2;/h1H;1H4/q-1;
InChIKeyJRVMXZWTUIPJHF-UHFFFAOYSA-N
MW45.06 g/mol
LogP0.36
Rot. Bonds

About methane;methanone

methane;methanone (PubChem CID 159005271) has the molecular formula C2H5O- and a molecular weight of 45.06 g/mol. Its IUPAC name is methane;methanone.

Molecular Properties

Compound Namemethane;methanone
PubChem CID159005271
Molecular FormulaC2H5O-
Molecular Weight45.06 g/mol
Exact Mass45.03
IUPAC Namemethane;methanone
SMILESC.[CH-]=O
InChIInChI=1S/CHO.CH4/c1-2;/h1H;1H4/q-1;
InChIKeyJRVMXZWTUIPJHF-UHFFFAOYSA-N
XLogP0.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50045.06
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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manganese;methanone
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manganese;methanone
CID 57468561
methanone;protactinium
CID 23382582
methanone;rhodium
CID 87421568
disodium;methanone
CID 21138399
sodium;carbanide;methanone
CID 58059383
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CID 173321808

Frequently Asked Questions

What is the IUPAC name of methane;methanone?
The IUPAC name of methane;methanone (CID 159005271) is methane;methanone.
What is the SMILES notation for methane;methanone?
The canonical SMILES for methane;methanone is C.[CH-]=O.
What is the InChIKey of methane;methanone?
The InChIKey is JRVMXZWTUIPJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/CHO.CH4/c1-2;/h1H;1H4/q-1;.
What are the key properties of methane;methanone?
methane;methanone has a molecular weight of 45.06 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methanone is sourced from PubChem (CID 159005271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).