2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide

C15H23NO — CID 89395556

IUPAC2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23NO/c1-9(2)15(17)16-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h10-14H,1,3-8H2,2H3,(H,16,17)
InChIKeyLTXAFAXQCAIARD-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.75
Rot. Bonds3

About 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide

2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide (PubChem CID 89395556) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
PubChem CID89395556
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
SMILESC=C(C)C(=O)NCC1CC2CC1C1CCCC21
InChIInChI=1S/C15H23NO/c1-9(2)15(17)16-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h10-14H,1,3-8H2,2H3,(H,16,17)
InChIKeyLTXAFAXQCAIARD-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.75
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 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide (CID 89395556) is 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide is C=C(C)C(=O)NCC1CC2CC1C1CCCC21.
What is the InChIKey of 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The InChIKey is LTXAFAXQCAIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-9(2)15(17)16-8-11-6-10-7-14(11)13-5-3-4-12(10)13/h10-14H,1,3-8H2,2H3,(H,16,17).
What are the key properties of 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide has a molecular weight of 233.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide is sourced from PubChem (CID 89395556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).