(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide

C10H10BrNOS — CID 9165513

IUPAC(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)NC1CC1
InChIInChI=1S/C10H10BrNOS/c11-9-5-3-8(14-9)4-6-10(13)12-7-1-2-7/h3-7H,1-2H2,(H,12,13)/b6-4+
InChIKeyNKKLYTJNDIILDP-GQCTYLIASA-N
MW272.17 g/mol
LogP2.80
Rot. Bonds3

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

(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide (PubChem CID 9165513) 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-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide
PubChem CID9165513
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)s1)NC1CC1
InChIInChI=1S/C10H10BrNOS/c11-9-5-3-8(14-9)4-6-10(13)12-7-1-2-7/h3-7H,1-2H2,(H,12,13)/b6-4+
InChIKeyNKKLYTJNDIILDP-GQCTYLIASA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide (CID 9165513) is (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide is O=C(/C=C/c1ccc(Br)s1)NC1CC1.
What is the InChIKey of (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide?
The InChIKey is NKKLYTJNDIILDP-GQCTYLIASA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-9-5-3-8(14-9)4-6-10(13)12-7-1-2-7/h3-7H,1-2H2,(H,12,13)/b6-4+.
What are the key properties of (E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide?
(E)-3-(5-bromothiophen-2-yl)-N-cyclopropylprop-2-enamide has a molecular weight of 272.17 g/mol, XLogP of 2.80, 3 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-cyclopropylprop-2-enamide is sourced from PubChem (CID 9165513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).