N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide

C13H13BrN2O — CID 6902483

IUPACN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)C1CC1
InChIInChI=1S/C13H13BrN2O/c14-12(8-10-4-2-1-3-5-10)9-15-16-13(17)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,16,17)/b12-8-,15-9+
InChIKeyHMOTYVUWCHRUBV-MSDVTEOZSA-N
MW293.16 g/mol
LogP2.93
Rot. Bonds4

About N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide (PubChem CID 6902483) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide
PubChem CID6902483
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide
SMILESO=C(N/N=C/C(Br)=C/c1ccccc1)C1CC1
InChIInChI=1S/C13H13BrN2O/c14-12(8-10-4-2-1-3-5-10)9-15-16-13(17)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,16,17)/b12-8-,15-9+
InChIKeyHMOTYVUWCHRUBV-MSDVTEOZSA-N
XLogP2.93
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide?
The IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide (CID 6902483) is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide?
The canonical SMILES for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide is O=C(N/N=C/C(Br)=C/c1ccccc1)C1CC1.
What is the InChIKey of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide?
The InChIKey is HMOTYVUWCHRUBV-MSDVTEOZSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-12(8-10-4-2-1-3-5-10)9-15-16-13(17)11-6-7-11/h1-5,8-9,11H,6-7H2,(H,16,17)/b12-8-,15-9+.
What are the key properties of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide?
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide has a molecular weight of 293.16 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]cyclopropanecarboxamide is sourced from PubChem (CID 6902483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).