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

C14H21NO — CID 89395557

IUPACN-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21NO/c1-2-14(16)15-8-10-6-9-7-13(10)12-5-3-4-11(9)12/h2,9-13H,1,3-8H2,(H,15,16)
InChIKeyJXLGMLIUHDEHDN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.36
Rot. Bonds3

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

N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide (PubChem CID 89395557) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
PubChem CID89395557
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide
SMILESC=CC(=O)NCC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21NO/c1-2-14(16)15-8-10-6-9-7-13(10)12-5-3-4-11(9)12/h2,9-13H,1,3-8H2,(H,15,16)
InChIKeyJXLGMLIUHDEHDN-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.36
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 N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide (CID 89395557) is N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide is C=CC(=O)NCC1CC2CC1C1CCCC21.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
The InChIKey is JXLGMLIUHDEHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(16)15-8-10-6-9-7-13(10)12-5-3-4-11(9)12/h2,9-13H,1,3-8H2,(H,15,16).
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide?
N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide has a molecular weight of 219.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanylmethyl)prop-2-enamide is sourced from PubChem (CID 89395557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).