N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide

C9H9BrN2OS — CID 42995239

IUPACN-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1cc(Br)cs1)C1CC1
InChIInChI=1S/C9H9BrN2OS/c10-7-3-8(14-5-7)4-11-12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13)/b11-4+
InChIKeyHWFIORFDTWOKQI-NYYWCZLTSA-N
MW273.16 g/mol
LogP2.37
Rot. Bonds3

About N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide

N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 42995239) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID42995239
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC NameN-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide
SMILESO=C(N/N=C/c1cc(Br)cs1)C1CC1
InChIInChI=1S/C9H9BrN2OS/c10-7-3-8(14-5-7)4-11-12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13)/b11-4+
InChIKeyHWFIORFDTWOKQI-NYYWCZLTSA-N
XLogP2.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-bromothiophen-2-yl)methylideneamino]urea
CID 759069
N-[(Z)-(4-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5394876
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 6061296
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
1-N-[(E)-(4-bromothiophen-2-yl)methylideneamino]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 44507406
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2350489
N-[(4-bromothiophen-2-yl)methylideneamino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
CID 2866199
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide
CID 9234450
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 41271343
N-[(4-bromothiophen-2-yl)methylideneamino]pyrazine-2-carboxamide
CID 71833431
N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]cyclopropanecarboxamide
CID 6910562

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide (CID 42995239) is N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide is O=C(N/N=C/c1cc(Br)cs1)C1CC1.
What is the InChIKey of N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is HWFIORFDTWOKQI-NYYWCZLTSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c10-7-3-8(14-5-7)4-11-12-9(13)6-1-2-6/h3-6H,1-2H2,(H,12,13)/b11-4+.
What are the key properties of N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide?
N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromothiophen-2-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 42995239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).