N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide

C10H12BrNO — CID 131036709

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide
SMILESO=C(C#CBr)NC1CC2CCC1C2
InChIInChI=1S/C10H12BrNO/c11-4-3-10(13)12-9-6-7-1-2-8(9)5-7/h7-9H,1-2,5-6H2,(H,12,13)
InChIKeyJKIQFADTQNJIJL-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.65
Rot. Bonds1

About N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide

N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide (PubChem CID 131036709) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide
PubChem CID131036709
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide
SMILESO=C(C#CBr)NC1CC2CCC1C2
InChIInChI=1S/C10H12BrNO/c11-4-3-10(13)12-9-6-7-1-2-8(9)5-7/h7-9H,1-2,5-6H2,(H,12,13)
InChIKeyJKIQFADTQNJIJL-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
CID 80592450
N-(2-bicyclo[2.2.1]heptanyl)pyrrolidine-1-carboxamide
CID 115641993

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide (CID 131036709) is N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide is O=C(C#CBr)NC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide?
The InChIKey is JKIQFADTQNJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c11-4-3-10(13)12-9-6-7-1-2-8(9)5-7/h7-9H,1-2,5-6H2,(H,12,13).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide has a molecular weight of 242.12 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-bromoprop-2-ynamide is sourced from PubChem (CID 131036709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).