3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide

C15H23NO — CID 42958251

IUPAC3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide
SMILESCC(C)=CC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23NO/c1-9(2)6-15(17)16-14-8-10-7-13(14)12-5-3-4-11(10)12/h6,10-14H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyCXYGHHKYZADZHP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.89
Rot. Bonds2

About 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide

3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide (PubChem CID 42958251) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide
PubChem CID42958251
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide
SMILESCC(C)=CC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23NO/c1-9(2)6-15(17)16-14-8-10-7-13(14)12-5-3-4-11(10)12/h6,10-14H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyCXYGHHKYZADZHP-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide (CID 42958251) is 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide is CC(C)=CC(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide?
The InChIKey is CXYGHHKYZADZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-9(2)6-15(17)16-14-8-10-7-13(14)12-5-3-4-11(10)12/h6,10-14H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide?
3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide has a molecular weight of 233.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)but-2-enamide is sourced from PubChem (CID 42958251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).