trans-(1S,2R)-2-bromocyclohexane-1-carboxamide

C7H12BrNO — CID 23239818

IUPACtrans-(1S,2R)-2-bromocyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1Br
InChIInChI=1S/C7H12BrNO/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyZDYPWLLGWCOODO-PHDIDXHHSA-N
MW206.08 g/mol
LogP1.43
Rot. Bonds1

About trans-(1S,2R)-2-bromocyclohexane-1-carboxamide

trans-(1S,2R)-2-bromocyclohexane-1-carboxamide (PubChem CID 23239818) has the molecular formula C7H12BrNO and a molecular weight of 206.08 g/mol. Its IUPAC name is trans-(1S,2R)-2-bromocyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-bromocyclohexane-1-carboxamide
PubChem CID23239818
Molecular FormulaC7H12BrNO
Molecular Weight206.08 g/mol
Exact Mass205.01
IUPAC Nametrans-(1S,2R)-2-bromocyclohexane-1-carboxamide
SMILESNC(=O)[C@@H]1CCCC[C@H]1Br
InChIInChI=1S/C7H12BrNO/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H2,9,10)/t5-,6-/m1/s1
InChIKeyZDYPWLLGWCOODO-PHDIDXHHSA-N
XLogP1.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 22604911
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trans-(1R,2R)-2-aminocycloheptane-1-carboxamide
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(1R,2R,7R)-bicyclo[5.2.0]nonane-2-carboxamide
CID 125180717
trans-(1S,2S)-2-hydroxycyclopentane-1-carboxamide
CID 55282135
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
methyl 2-bromocyclopentane-1-carboxylate
CID 165357827
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-bromocyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-bromocyclohexane-1-carboxamide (CID 23239818) is trans-(1S,2R)-2-bromocyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-bromocyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-bromocyclohexane-1-carboxamide is NC(=O)[C@@H]1CCCC[C@H]1Br.
What is the InChIKey of trans-(1S,2R)-2-bromocyclohexane-1-carboxamide?
The InChIKey is ZDYPWLLGWCOODO-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12BrNO/c8-6-4-2-1-3-5(6)7(9)10/h5-6H,1-4H2,(H2,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1S,2R)-2-bromocyclohexane-1-carboxamide?
trans-(1S,2R)-2-bromocyclohexane-1-carboxamide has a molecular weight of 206.08 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-bromocyclohexane-1-carboxamide is sourced from PubChem (CID 23239818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).