cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide

C7H8Br2N2O — CID 6932728

IUPACcis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(N)=O)C[C@@H](Br)[C@@H](Br)C1
InChIInChI=1S/C7H8Br2N2O/c8-4-1-7(3-10,6(11)12)2-5(4)9/h4-5H,1-2H2,(H2,11,12)/t4-,5+,7?
InChIKeyAJRQOPKXIAMEGM-VAPWPJCZSA-N
MW295.96 g/mol
LogP1.30
Rot. Bonds1

About cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide

cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide (PubChem CID 6932728) has the molecular formula C7H8Br2N2O and a molecular weight of 295.96 g/mol. Its IUPAC name is cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide
PubChem CID6932728
Molecular FormulaC7H8Br2N2O
Molecular Weight295.96 g/mol
Exact Mass293.90
IUPAC Namecis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide
SMILESN#CC1(C(N)=O)C[C@@H](Br)[C@@H](Br)C1
InChIInChI=1S/C7H8Br2N2O/c8-4-1-7(3-10,6(11)12)2-5(4)9/h4-5H,1-2H2,(H2,11,12)/t4-,5+,7?
InChIKeyAJRQOPKXIAMEGM-VAPWPJCZSA-N
XLogP1.30
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.96
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide (CID 6932728) is cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide is N#CC1(C(N)=O)C[C@@H](Br)[C@@H](Br)C1.
What is the InChIKey of cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide?
The InChIKey is AJRQOPKXIAMEGM-VAPWPJCZSA-N. The full InChI is InChI=1S/C7H8Br2N2O/c8-4-1-7(3-10,6(11)12)2-5(4)9/h4-5H,1-2H2,(H2,11,12)/t4-,5+,7?.
What are the key properties of cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide?
cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide has a molecular weight of 295.96 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4S)-3,4-dibromo-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 6932728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).