(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide

C10H13NOS — CID 14383806

IUPAC(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)N(C)C
InChIInChI=1S/C10H13NOS/c1-8(10(12)11(2)3)7-9-5-4-6-13-9/h4-7H,1-3H3/b8-7+
InChIKeyPORBOFMTWOIVFS-BQYQJAHWSA-N
MW195.29 g/mol
LogP2.24
Rot. Bonds2

About (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide

(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 14383806) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
PubChem CID14383806
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
SMILESC/C(=C\c1cccs1)C(=O)N(C)C
InChIInChI=1S/C10H13NOS/c1-8(10(12)11(2)3)7-9-5-4-6-13-9/h4-7H,1-3H3/b8-7+
InChIKeyPORBOFMTWOIVFS-BQYQJAHWSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-3-thiophen-2-ylprop-2-enoate
CID 57285992
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
(E)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,2-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 110308754
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
methyl (2Z)-3-oxo-2-(thiophen-2-ylmethylidene)butanoate
CID 67842842
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
(2E)-3-methyl-2-(thiophen-2-ylmethylidene)but-3-enal
CID 10749828
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524
(E)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-thiophen-2-ylprop-2-en-1-one
CID 110298524
2-[(7-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]-N,N-dimethyl-3-thiophen-2-ylprop-2-enamide
CID 66812685
(3E)-3-(thiophen-2-ylmethylidene)octan-2-one
CID 25062085

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide (CID 14383806) is (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide is C/C(=C\c1cccs1)C(=O)N(C)C.
What is the InChIKey of (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is PORBOFMTWOIVFS-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13NOS/c1-8(10(12)11(2)3)7-9-5-4-6-13-9/h4-7H,1-3H3/b8-7+.
What are the key properties of (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide?
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 195.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 14383806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).