2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone

C11H15N3O — CID 114686193

IUPAC2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C11H15N3O/c1-14-10(6-12-13-14)11(15)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3
InChIKeyLSHSMMFITYOVIH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.43
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone

2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone (PubChem CID 114686193) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
PubChem CID114686193
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone
SMILESCn1nncc1C(=O)C1CC2CCC1C2
InChIInChI=1S/C11H15N3O/c1-14-10(6-12-13-14)11(15)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3
InChIKeyLSHSMMFITYOVIH-UHFFFAOYSA-N
XLogP1.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(3-methyltriazol-4-yl)methanone
CID 114685839
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
3-methyltriazole-4-carbonyl chloride
CID 119095890
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanol
CID 114686755
(3-methyltriazol-4-yl)-(oxan-2-yl)methanone
CID 115806840
2-bicyclo[2.2.1]heptanyl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106876825
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 113383435
2-bicyclo[2.2.1]heptanyl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 114247096
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
(1,4-dimethyl-1,4-diazepan-2-yl)-(3-methyltriazol-4-yl)methanone
CID 114686152
2-bicyclo[2.2.1]heptanyl-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884827
2-bicyclo[2.2.1]heptanyl-(2-methoxy-5-methylphenyl)methanone
CID 61365916

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone (CID 114686193) is 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone is Cn1nncc1C(=O)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone?
The InChIKey is LSHSMMFITYOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-14-10(6-12-13-14)11(15)9-5-7-2-3-8(9)4-7/h6-9H,2-5H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone?
2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone has a molecular weight of 205.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 114686193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).