(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile

C7H6N2S — CID 12540176

IUPAC(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C=C(\N)c1cccs1
InChIInChI=1S/C7H6N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2/b6-3-
InChIKeyHJWLHKVPANIEBM-UTCJRWHESA-N
MW150.21 g/mol
LogP1.57
Rot. Bonds1

About (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile

(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile (PubChem CID 12540176) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile
PubChem CID12540176
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile
SMILESN#C/C=C(\N)c1cccs1
InChIInChI=1S/C7H6N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2/b6-3-
InChIKeyHJWLHKVPANIEBM-UTCJRWHESA-N
XLogP1.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile (CID 12540176) is (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile is N#C/C=C(\N)c1cccs1.
What is the InChIKey of (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile?
The InChIKey is HJWLHKVPANIEBM-UTCJRWHESA-N. The full InChI is InChI=1S/C7H6N2S/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2/b6-3-.
What are the key properties of (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile?
(Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile has a molecular weight of 150.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-3-thiophen-2-ylprop-2-enenitrile is sourced from PubChem (CID 12540176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).