(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide

C10H10BrNOS — CID 9442219

IUPAC(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C10H10BrNOS/c1-2-7-12-10(13)6-4-8-3-5-9(11)14-8/h2-6H,1,7H2,(H,12,13)/b6-4+
InChIKeySOEVUUQDCDOSKN-GQCTYLIASA-N
MW272.17 g/mol
LogP2.83
Rot. Bonds4

About (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide

(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 9442219) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
PubChem CID9442219
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C=C/c1ccc(Br)s1
InChIInChI=1S/C10H10BrNOS/c1-2-7-12-10(13)6-4-8-3-5-9(11)14-8/h2-6H,1,7H2,(H,12,13)/b6-4+
InChIKeySOEVUUQDCDOSKN-GQCTYLIASA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-bromoprop-2-enyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 47439352
(E)-3-(5-bromothiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)prop-2-enamide
CID 102914567
N-(4-bromophenyl)-3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]propanamide
CID 55977690
3-(5-bromothiophen-2-yl)-N-(1H-imidazol-2-ylmethyl)prop-2-enamide
CID 77021941
6-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]-4-methylhexanoic acid
CID 77024820
N-[3-(azepan-1-yl)propyl]-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 76858426
(E)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 43236333
(E)-3-(5-bromothiophen-2-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 51148126
2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
CID 82124082
N-[3-(5-bromothiophen-2-yl)prop-2-enyl]acetamide
CID 169466781
2-[3-(5-bromothiophen-2-yl)prop-2-enoylamino]-2-methylpropanoic acid
CID 61263021
(E)-3-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870200

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide (CID 9442219) is (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C=C/c1ccc(Br)s1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is SOEVUUQDCDOSKN-GQCTYLIASA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-7-12-10(13)6-4-8-3-5-9(11)14-8/h2-6H,1,7H2,(H,12,13)/b6-4+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 272.17 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromothiophen-2-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 9442219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).