N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide

C16H25NO — CID 89206419

IUPACN-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C(C)CC(CC)C21
InChIInChI=1S/C16H25NO/c1-4-10-6-9(3)15-12-7-11(16(10)15)8-13(12)17-14(18)5-2/h5,9-13,15-16H,2,4,6-8H2,1,3H3,(H,17,18)
InChIKeyNRUORUFTOWSXNP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.00
Rot. Bonds3

About N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide

N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide (PubChem CID 89206419) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
PubChem CID89206419
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide
SMILESC=CC(=O)NC1CC2CC1C1C(C)CC(CC)C21
InChIInChI=1S/C16H25NO/c1-4-10-6-9(3)15-12-7-11(16(10)15)8-13(12)17-14(18)5-2/h5,9-13,15-16H,2,4,6-8H2,1,3H3,(H,17,18)
InChIKeyNRUORUFTOWSXNP-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.00
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-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The IUPAC name of N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide (CID 89206419) is N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide.
What is the SMILES notation for N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The canonical SMILES for N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide is C=CC(=O)NC1CC2CC1C1C(C)CC(CC)C21.
What is the InChIKey of N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
The InChIKey is NRUORUFTOWSXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-10-6-9(3)15-12-7-11(16(10)15)8-13(12)17-14(18)5-2/h5,9-13,15-16H,2,4,6-8H2,1,3H3,(H,17,18).
What are the key properties of N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide?
N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide has a molecular weight of 247.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methyl-8-tricyclo[5.2.1.02,6]decanyl)prop-2-enamide is sourced from PubChem (CID 89206419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).