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

C7H6NO2+ — CID 6333435

IUPACmethylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
SMILESC#[N+]/C=C1\OC(=O)C=C1C
InChIInChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1/b6-4-
InChIKeyQVQLDQMFYGORLU-XQRVVYSFSA-N
MW136.13 g/mol
LogP1.29
Rot. Bonds

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

methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium (PubChem CID 6333435) has the molecular formula C7H6NO2+ and a molecular weight of 136.13 g/mol. Its IUPAC name is methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium.

Molecular Properties

Compound Namemethylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
PubChem CID6333435
Molecular FormulaC7H6NO2+
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Namemethylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium
SMILESC#[N+]/C=C1\OC(=O)C=C1C
InChIInChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1/b6-4-
InChIKeyQVQLDQMFYGORLU-XQRVVYSFSA-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-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The IUPAC name of methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium (CID 6333435) is methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium.
What is the SMILES notation for methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The canonical SMILES for methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium is C#[N+]/C=C1\OC(=O)C=C1C.
What is the InChIKey of methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
The InChIKey is QVQLDQMFYGORLU-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H6NO2/c1-5-3-7(9)10-6(5)4-8-2/h2-4H,1H3/q+1/b6-4-.
What are the key properties of methylidyne-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium?
methylidyne-[(Z)-(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-[(Z)-(3-methyl-5-oxofuran-2-ylidene)methyl]azanium is sourced from PubChem (CID 6333435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).