N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C14H19NO — CID 103761827

IUPACN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16)
InChIKeyRFMDEZJGBSYSKV-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.81
Rot. Bonds2

About N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103761827) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103761827
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESC#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12
InChIInChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16)
InChIKeyRFMDEZJGBSYSKV-UHFFFAOYSA-N
XLogP1.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103761827) is N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide is C#CC(C)(C)NC(=O)C1C2C3CCC(C3)C12.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is RFMDEZJGBSYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-4-14(2,3)15-13(16)12-10-8-5-6-9(7-8)11(10)12/h1,8-12H,5-7H2,2-3H3,(H,15,16).
What are the key properties of N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103761827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).