methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium

C7H6NO2+ — CID 5200836

IUPACmethylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
SMILESC#[N+]C=C1OC(=O)C=C1C
InChIInChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1
InChIKeyQVQLDQMFYGORLU-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.29
Rot. Bonds

About methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium

methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium (PubChem CID 5200836) has the molecular formula C7H6NO2+ and a molecular weight of 136.13 g/mol. Its IUPAC name is methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium.

Molecular Properties

Compound Namemethylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
PubChem CID5200836
Molecular FormulaC7H6NO2+
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Namemethylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
SMILESC#[N+]C=C1OC(=O)C=C1C
InChIInChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1
InChIKeyQVQLDQMFYGORLU-UHFFFAOYSA-N
XLogP1.29
TPSA30.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The IUPAC name of methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium (CID 5200836) is methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium.
What is the SMILES notation for methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The canonical SMILES for methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium is C#[N+]C=C1OC(=O)C=C1C.
What is the InChIKey of methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The InChIKey is QVQLDQMFYGORLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1.
What are the key properties of methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium has a molecular weight of 136.13 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[(3-methyl-5-oxofuran-2-ylidene)methyl]azanium is sourced from PubChem (CID 5200836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).