cyano prop-2-enoate;thiophene

C12H11NO2S2 — CID 175976744

IUPACcyano prop-2-enoate;thiophene
SMILESC=CC(=O)OC#N.c1ccsc1.c1ccsc1
InChIInChI=1S/C4H3NO2.2C4H4S/c1-2-4(6)7-3-5;2*1-2-4-5-3-1/h2H,1H2;2*1-4H
InChIKeyBAIWSEVREQVNCW-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.69
Rot. Bonds1

About cyano prop-2-enoate;thiophene

cyano prop-2-enoate;thiophene (PubChem CID 175976744) has the molecular formula C12H11NO2S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is cyano prop-2-enoate;thiophene.

Molecular Properties

Compound Namecyano prop-2-enoate;thiophene
PubChem CID175976744
Molecular FormulaC12H11NO2S2
Molecular Weight265.36 g/mol
Exact Mass265.02
IUPAC Namecyano prop-2-enoate;thiophene
SMILESC=CC(=O)OC#N.c1ccsc1.c1ccsc1
InChIInChI=1S/C4H3NO2.2C4H4S/c1-2-4(6)7-3-5;2*1-2-4-5-3-1/h2H,1H2;2*1-4H
InChIKeyBAIWSEVREQVNCW-UHFFFAOYSA-N
XLogP3.69
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyano prop-2-enoate;thiophene?
The IUPAC name of cyano prop-2-enoate;thiophene (CID 175976744) is cyano prop-2-enoate;thiophene.
What is the SMILES notation for cyano prop-2-enoate;thiophene?
The canonical SMILES for cyano prop-2-enoate;thiophene is C=CC(=O)OC#N.c1ccsc1.c1ccsc1.
What is the InChIKey of cyano prop-2-enoate;thiophene?
The InChIKey is BAIWSEVREQVNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO2.2C4H4S/c1-2-4(6)7-3-5;2*1-2-4-5-3-1/h2H,1H2;2*1-4H.
What are the key properties of cyano prop-2-enoate;thiophene?
cyano prop-2-enoate;thiophene has a molecular weight of 265.36 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyano prop-2-enoate;thiophene is sourced from PubChem (CID 175976744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).