(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide

C14H10N2S — CID 6211778

IUPAC(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide
SMILESN#C/C(=C\c1ccc2ccccc2c1)C(N)=S
InChIInChI=1S/C14H10N2S/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H2,16,17)/b13-8+
InChIKeyLLWRCIOSXIMABV-MDWZMJQESA-N
MW238.31 g/mol
LogP3.03
Rot. Bonds2

About (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide

(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide (PubChem CID 6211778) has the molecular formula C14H10N2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide.

Molecular Properties

Compound Name(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide
PubChem CID6211778
Molecular FormulaC14H10N2S
Molecular Weight238.31 g/mol
Exact Mass238.06
IUPAC Name(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide
SMILESN#C/C(=C\c1ccc2ccccc2c1)C(N)=S
InChIInChI=1S/C14H10N2S/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H2,16,17)/b13-8+
InChIKeyLLWRCIOSXIMABV-MDWZMJQESA-N
XLogP3.03
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide?
The IUPAC name of (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide (CID 6211778) is (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide.
What is the SMILES notation for (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide?
The canonical SMILES for (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide is N#C/C(=C\c1ccc2ccccc2c1)C(N)=S.
What is the InChIKey of (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide?
The InChIKey is LLWRCIOSXIMABV-MDWZMJQESA-N. The full InChI is InChI=1S/C14H10N2S/c15-9-13(14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,(H2,16,17)/b13-8+.
What are the key properties of (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide?
(E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide has a molecular weight of 238.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-naphthalen-2-ylprop-2-enethioamide is sourced from PubChem (CID 6211778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).