(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide

C7H4NOS- — CID 136682631

IUPAC(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide
SMILES[N-]=C=CC(=O)c1cccs1
InChIInChI=1S/C7H4NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H/q-1
InChIKeyNEXXWARWXGWBAL-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.73
Rot. Bonds2

About (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide

(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide (PubChem CID 136682631) has the molecular formula C7H4NOS- and a molecular weight of 150.18 g/mol. Its IUPAC name is (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide.

Molecular Properties

Compound Name(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide
PubChem CID136682631
Molecular FormulaC7H4NOS-
Molecular Weight150.18 g/mol
Exact Mass150.00
IUPAC Name(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide
SMILES[N-]=C=CC(=O)c1cccs1
InChIInChI=1S/C7H4NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H/q-1
InChIKeyNEXXWARWXGWBAL-UHFFFAOYSA-N
XLogP1.73
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide?
The IUPAC name of (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide (CID 136682631) is (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide.
What is the SMILES notation for (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide?
The canonical SMILES for (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide is [N-]=C=CC(=O)c1cccs1.
What is the InChIKey of (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide?
The InChIKey is NEXXWARWXGWBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H/q-1.
What are the key properties of (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide?
(3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide has a molecular weight of 150.18 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-thiophen-2-ylprop-1-enylidene)azanide is sourced from PubChem (CID 136682631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).