(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide

C9H8N2OS — CID 679432

IUPAC(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(/C#N)C(N)=O)s1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-4H,1H3,(H2,11,12)/b7-4-
InChIKeyVUQFYZGKBHODQK-DAXSKMNVSA-N
MW192.24 g/mol
LogP1.45
Rot. Bonds2

About (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide

(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 679432) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID679432
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCc1ccc(/C=C(/C#N)C(N)=O)s1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-4H,1H3,(H2,11,12)/b7-4-
InChIKeyVUQFYZGKBHODQK-DAXSKMNVSA-N
XLogP1.45
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 679432) is (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is Cc1ccc(/C=C(/C#N)C(N)=O)s1.
What is the InChIKey of (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is VUQFYZGKBHODQK-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)4-7(5-10)9(11)12/h2-4H,1H3,(H2,11,12)/b7-4-.
What are the key properties of (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide?
(Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 192.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 679432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).