(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide

C12H12BrNO — CID 903325

IUPAC(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C12H12BrNO/c13-10-4-1-9(2-5-10)3-8-12(15)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,15)/b8-3+
InChIKeyYMASMQJPFXADOY-FPYGCLRLSA-N
MW266.14 g/mol
LogP2.74
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide

(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide (PubChem CID 903325) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
PubChem CID903325
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C12H12BrNO/c13-10-4-1-9(2-5-10)3-8-12(15)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,15)/b8-3+
InChIKeyYMASMQJPFXADOY-FPYGCLRLSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109962
3-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 47120345
(E)-3-(4-bromophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 42890222
(E)-3-(4-bromophenyl)-N-(3,3-dimethylcyclopentyl)prop-2-enamide
CID 114550381
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
(E)-3-(4-bromophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103860499
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
4-[3-(4-bromophenyl)prop-2-enoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210064

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide (CID 903325) is (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NC1CC1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide?
The InChIKey is YMASMQJPFXADOY-FPYGCLRLSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10-4-1-9(2-5-10)3-8-12(15)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,15)/b8-3+.
What are the key properties of (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide has a molecular weight of 266.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide is sourced from PubChem (CID 903325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).