(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide

C10H10N2OS — CID 727729

IUPAC(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
SMILESCc1cc(/C=C(\C#N)C(N)=O)c(C)s1
InChIInChI=1S/C10H10N2OS/c1-6-3-8(7(2)14-6)4-9(5-11)10(12)13/h3-4H,1-2H3,(H2,12,13)/b9-4+
InChIKeyRVTZGLOIHGPJLM-RUDMXATFSA-N
MW206.27 g/mol
LogP1.76
Rot. Bonds2

About (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide

(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide (PubChem CID 727729) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
PubChem CID727729
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide
SMILESCc1cc(/C=C(\C#N)C(N)=O)c(C)s1
InChIInChI=1S/C10H10N2OS/c1-6-3-8(7(2)14-6)4-9(5-11)10(12)13/h3-4H,1-2H3,(H2,12,13)/b9-4+
InChIKeyRVTZGLOIHGPJLM-RUDMXATFSA-N
XLogP1.76
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.76
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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Related Compounds

2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enethioamide
CID 3252114
propan-2-yl (Z)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enoate
CID 727736
(E)-2-cyano-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 708134
(E)-2-cyano-3-(6-methyl-1,3-benzodioxol-5-yl)prop-2-enamide
CID 21234538
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
CID 122366406
(E)-2-cyanobut-2-enamide
CID 88621085
(E)-3-(2-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamide
CID 54784956
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-2-cyano-3-(2-ethoxy-3,5-dimethylphenyl)prop-2-enamide
CID 50886413
(Z)-2-cyano-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enamide
CID 874046
(Z)-3-(2,5-dimethylthiophen-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
CID 177385434
2,5-dimethyl-3-(4-methyl-2-nitropent-1-enyl)thiophene
CID 76949322

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide (CID 727729) is (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide is Cc1cc(/C=C(\C#N)C(N)=O)c(C)s1.
What is the InChIKey of (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide?
The InChIKey is RVTZGLOIHGPJLM-RUDMXATFSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-6-3-8(7(2)14-6)4-9(5-11)10(12)13/h3-4H,1-2H3,(H2,12,13)/b9-4+.
What are the key properties of (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide?
(E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2,5-dimethylthiophen-3-yl)prop-2-enamide is sourced from PubChem (CID 727729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).